diff --git a/chemicaltoolbox/opsin/.shed.yml b/chemicaltoolbox/opsin/.shed.yml new file mode 100644 index 0000000000..18e1f73aa1 --- /dev/null +++ b/chemicaltoolbox/opsin/.shed.yml @@ -0,0 +1,16 @@ +categories: + - Computational chemistry +homepage_url: https://github.com/dan2097/opsin +name: opsin +owner: bgruening +remote_repository_url: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/opsin +type: unrestricted +repositories: + opsin: + description: OPSIN (Open Parser for Systematic IUPAC Nomenclature) IUPAC name-to-structure conversion + long_description: | + OPSIN is an Open Parser for Systematic IUPAC Nomenclature. + This suite provides tools to convert IUPAC chemical names into machine-readable structures, + including SMILES, CML, and InChI formats. + include: + - opsin.xml \ No newline at end of file diff --git a/chemicaltoolbox/opsin/opsin.xml b/chemicaltoolbox/opsin/opsin.xml index 39f184bbb1..452bf938a2 100644 --- a/chemicaltoolbox/opsin/opsin.xml +++ b/chemicaltoolbox/opsin/opsin.xml @@ -1,8 +1,11 @@ - - converter (OPSIN) + + IUPAC name-to-structure + + 2.9.0 + - opsin + opsin @@ -13,15 +16,15 @@ "${outfile}" + < '${infile}' + > '${outfile}' ]]> - + @@ -53,7 +56,7 @@ OPSIN_ is a IUPAC name-to-structure conversion tool offering high recall and precision on organic chemical nomenclature. -.. _OPSIN: https://bitbucket.org/dan2097/opsin/overview +.. _OPSIN: https://github.com/dan2097/opsin ]]> diff --git a/tools/3dtrees_metadata/.shed.yml b/tools/3dtrees_metadata/.shed.yml new file mode 100644 index 0000000000..b644d6ea25 --- /dev/null +++ b/tools/3dtrees_metadata/.shed.yml @@ -0,0 +1,13 @@ +name: 3dtrees_metadata +owner: bgruening +description: Extract administrative and ecoregion metadata for 3Dtrees collections. +homepage_url: https://github.com/3dTrees-earth/3dtrees_metadata +long_description: | + Extracts administrative and ecoregion context for a 3Dtrees collection summary + by computing the collection centroid from collection_summary.json and + intersecting it with selected GADM and WWF Terrestrial Ecoregions v2.0 vector + datasets. +remote_repository_url: https://github.com/3dTrees-earth/galaxytools/tree/3dtrees_metadata_v1_0_0/tools/3dtrees_metadata +type: unrestricted +categories: +- "Geo Science" diff --git a/tools/3dtrees_metadata/3dtrees_metadata.xml b/tools/3dtrees_metadata/3dtrees_metadata.xml new file mode 100644 index 0000000000..4236516eff --- /dev/null +++ b/tools/3dtrees_metadata/3dtrees_metadata.xml @@ -0,0 +1,106 @@ + + Extract administrative and ecoregion metadata for a point-cloud collection + + 1.0.0 + 0 + + + ghcr.io/3dtrees-earth/3dtrees_metadata:@TOOL_VERSION@ + + &1 + ]]> + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @misc{3dtrees_metadata, title = {3Dtrees: Metadata}, author = {3Dtrees Project}, year = {2026}} + + + diff --git a/tools/3dtrees_metadata/test-data/collection_summary.json b/tools/3dtrees_metadata/test-data/collection_summary.json new file mode 100644 index 0000000000..d3db2a25a9 --- /dev/null +++ b/tools/3dtrees_metadata/test-data/collection_summary.json @@ -0,0 +1,8 @@ +{ + "collection": { + "multipolygon_wkt": "MULTIPOLYGON(((7.84 47.98, 7.86 47.98, 7.86 48.00, 7.84 48.00, 7.84 47.98)))" + }, + "n_tiles": 2, + "homogeneous_crs": true, + "homogeneous_attribute_names": true +} diff --git a/tools/3dtrees_metadata/test-data/gadm_fixture.geojson b/tools/3dtrees_metadata/test-data/gadm_fixture.geojson new file mode 100644 index 0000000000..80656cdc6b --- /dev/null +++ b/tools/3dtrees_metadata/test-data/gadm_fixture.geojson @@ -0,0 +1,35 @@ +{ + "type": "FeatureCollection", + "name": "gadm_fixture", + "crs": { + "type": "name", + "properties": { + "name": "urn:ogc:def:crs:OGC:1.3:CRS84" + } + }, + "features": [ + { + "type": "Feature", + "properties": { + "GID_0": "DEU", + "COUNTRY": "Germany", + "GID_1": "DEU.1_1", + "NAME_1": "Baden-Wuerttemberg", + "TYPE_1": "Land", + "ENGTYPE_1": "State" + }, + "geometry": { + "type": "Polygon", + "coordinates": [ + [ + [7.70, 47.80], + [8.00, 47.80], + [8.00, 48.20], + [7.70, 48.20], + [7.70, 47.80] + ] + ] + } + } + ] +} diff --git a/tools/3dtrees_metadata/test-data/wwf_ecoregions_fixture.geojson b/tools/3dtrees_metadata/test-data/wwf_ecoregions_fixture.geojson new file mode 100644 index 0000000000..0c4b464112 --- /dev/null +++ b/tools/3dtrees_metadata/test-data/wwf_ecoregions_fixture.geojson @@ -0,0 +1,34 @@ +{ + "type": "FeatureCollection", + "name": "wwf_ecoregions_fixture", + "crs": { + "type": "name", + "properties": { + "name": "urn:ogc:def:crs:OGC:1.3:CRS84" + } + }, + "features": [ + { + "type": "Feature", + "properties": { + "ECO_NAME": "Black Forest", + "ECO_ID": "PA0414", + "REALM": "PA", + "BIOME": 4, + "BIOME_DESC": "Temperate Broadleaf & Mixed Forests" + }, + "geometry": { + "type": "Polygon", + "coordinates": [ + [ + [7.70, 47.80], + [8.00, 47.80], + [8.00, 48.20], + [7.70, 48.20], + [7.70, 47.80] + ] + ] + } + } + ] +} diff --git a/tools/3dtrees_raycloudtools/raycloudtools.xml b/tools/3dtrees_raycloudtools/raycloudtools.xml index b5df74a042..4d1ee48ba2 100644 --- a/tools/3dtrees_raycloudtools/raycloudtools.xml +++ b/tools/3dtrees_raycloudtools/raycloudtools.xml @@ -1,8 +1,8 @@ Tree instance segmentation - 1.1.1 - 1 + 1.2.0 + 0 diff --git a/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_mesh.ply b/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_mesh.ply index 6e1465409e..5c82310e83 100644 Binary files a/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_mesh.ply and b/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_mesh.ply differ diff --git a/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_segmented.laz b/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_segmented.laz index b11e6010a4..35f73a5d3c 100644 Binary files a/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_segmented.laz and b/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_segmented.laz differ diff --git a/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees.txt b/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees.txt index 93abc70313..fc06dc2c8e 100644 --- a/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees.txt +++ b/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees.txt @@ -1,3 +1,3 @@ # Tree file. Optional per-tree attributes (e.g. 'height,crown_radius, ') followed by 'x,y,z,radius' and any additional per-segment attributes: x,y,z,radius,parent_id,section_id --0.0004,-0.0005,-0.0400,0.0525,-1,0, 0.0008,-0.0009,0.5044,0.0525,0,1, 0.0300,-0.0450,0.7800,0.0523,1,2, 0.0033,-0.0052,1.0377,0.0523,2,3, -0.0056,0.0493,1.2587,0.0384,3,4, 0.0203,-0.0530,1.2240,0.0356,3,5, -0.0260,0.1583,1.4181,0.0384,4,6, -0.0100,-0.0580,1.4800,0.0356,5,7, -0.0405,0.2458,1.5522,0.0384,6,8, -0.0133,-0.0633,1.7300,0.0356,7,9, -0.0558,0.3339,1.6914,0.0384,8,10, -0.0100,-0.0750,1.8750,0.0355,9,11, -0.0221,0.3834,1.8933,0.0319,10,12, -0.0650,0.4650,1.8400,0.0213,10,14, 0.0175,-0.1334,2.0886,0.0355,11,13, 0.0276,0.3805,2.0381,0.0319,12,15, -0.0950,0.5225,1.9500,0.0213,13,17, 0.0300,-0.1200,2.2040,0.0351,14,16, 0.0157,0.3912,2.1720,0.0319,15,18, -0.1050,0.6050,2.0400,0.0211,16,20, 0.0461,-0.1344,2.3103,0.0351,17,19, -0.0325,0.3050,2.3100,0.0316,18,21, -0.1200,0.6750,2.1250,0.0211,19,23, 0.0367,-0.2200,2.4633,0.0347,20,22, 0.0049,0.2169,2.5093,0.0313,21,24, -0.1633,0.7333,2.1900,0.0184,22,26, -0.1178,0.7124,2.2245,0.0103,22,30, 0.0550,-0.2675,2.5850,0.0267,23,25, 0.0640,-0.2840,2.5760,0.0222,23,28, 0.0450,0.1629,2.5958,0.0225,24,27, -0.0518,0.1240,2.6016,0.0214,24,32, -0.2225,0.8475,2.2725,0.0184,25,31, -0.1100,0.7225,2.3075,0.0103,26,36, 0.0750,-0.3200,2.7600,0.0267,27,29, 0.0520,-0.3640,2.7140,0.0222,28,34, 0.0250,0.2600,2.7400,0.0225,29,33, -0.0750,0.1250,2.7300,0.0214,30,38, -0.2650,0.9375,2.3500,0.0184,31,37, 0.1100,-0.3600,2.8850,0.0267,33,35, -0.0098,-0.4474,2.7674,0.0222,34,40, 0.0600,0.3567,2.8233,0.0225,35,39, -0.1075,0.1300,2.7900,0.0213,36,43, -0.2833,1.0000,2.4233,0.0152,37,42, -0.3100,0.9933,2.4167,0.0102,37,47, 0.1250,-0.4050,3.0050,0.0267,38,41, -0.0400,-0.5100,2.8120,0.0222,39,45, 0.0967,0.4467,2.8733,0.0191,40,44, 0.0497,0.4464,2.9199,0.0119,40,50, -0.1704,0.1585,2.8855,0.0213,41,49, -0.2948,1.0738,2.4693,0.0152,42,48, 0.1340,-0.4420,3.2000,0.0267,44,46, -0.1120,-0.6360,2.9080,0.0222,45,52, 0.0993,0.6170,2.8780,0.0191,46,51, 0.0800,0.4467,2.9733,0.0116,47,56, -0.2000,0.1500,2.9833,0.0201,48,55, -0.3100,1.1300,2.5450,0.0152,49,54, 0.1750,-0.4625,3.3275,0.0243,50,53, -0.1100,-0.7100,2.9833,0.0190,51,58, 0.2000,0.6350,2.9050,0.0180,52,57, 0.0900,0.4800,3.0500,0.0116,53,62, -0.2560,0.1200,3.1040,0.0201,54,61, -0.3287,1.1993,2.5983,0.0152,55,60, 0.1900,-0.4700,3.4467,0.0243,56,59, -0.1280,-0.7820,3.0440,0.0190,57,64, 0.2467,0.7000,2.9333,0.0180,58,63, 0.0833,0.5083,3.1149,0.0116,59,68, -0.2625,0.0650,3.1625,0.0189,60,67, -0.3500,1.2533,2.6300,0.0122,61,66, 0.2580,-0.4800,3.5500,0.0243,62,65, -0.1496,-0.8424,3.1172,0.0190,63,70, 0.3350,0.7950,2.9350,0.0178,64,69, 0.0575,0.5900,3.1525,0.0115,65,74, -0.2450,0.0000,3.2500,0.0182,66,73, -0.3833,1.3667,2.7500,0.0122,67,72, 0.2750,-0.4925,3.6600,0.0188,68,71, 0.3250,-0.4850,3.6100,0.0152,68,77, -0.1967,-0.9933,3.2467,0.0157,69,76, 0.4400,0.7833,2.9000,0.0174,70,75, 0.0900,0.5900,3.2100,0.0115,71,80, -0.2467,-0.0800,3.3333,0.0182,72,79, 0.2800,-0.5250,3.8425,0.0188,74,78, 0.4000,-0.4850,3.6600,0.0152,75,83, -0.2400,-1.0933,3.3033,0.0124,76,82, 0.4900,0.7500,2.8600,0.0174,77,81, -0.2300,-0.1800,3.3950,0.0181,79,85, 0.3033,-0.5533,3.9233,0.0154,80,84, 0.4600,-0.4900,3.7250,0.0120,81,87, 0.5050,0.7000,2.7900,0.0174,83,86, -0.2000,-0.2533,3.4767,0.0181,84,89, 0.3400,-0.5750,4.0200,0.0154,85,88, 0.4750,0.6700,2.7000,0.0169,87,90, -0.1250,-0.4350,3.5750,0.0181,88,92, 0.3550,-0.5975,4.1150,0.0119,89,91, 0.4000,0.6200,2.5833,0.0168,90,93, -0.1033,-0.6267,3.6833,0.0181,91,94, 0.3333,0.5367,2.5033,0.0168,93,95, 0.2625,0.4375,2.4475,0.0168,95,96 +-0.0001,0.0000,0.0170,0.0496,-1,0, -0.0041,0.0072,0.3102,0.0495,0,1, -0.0197,-0.0208,0.5441,0.0495,1,2, 0.0289,-0.0430,0.7817,0.0494,2,3, 0.0022,-0.0065,1.0393,0.0494,3,4, 0.0051,0.0015,1.2568,0.0488,4,5, -0.0355,0.1312,1.3994,0.0358,5,6, -0.0101,-0.0525,1.5017,0.0332,5,7, -0.0500,0.2320,1.5410,0.0358,6,8, 0.0079,-0.0672,1.7355,0.0332,7,9, -0.0558,0.3157,1.6645,0.0358,8,10, -0.0094,-0.0712,1.8755,0.0332,9,11, -0.0546,0.4041,1.8211,0.0358,10,12, 0.0004,-0.1285,2.0667,0.0332,11,13, -0.0065,0.3776,1.9416,0.0299,12,14, -0.1022,0.5328,1.9717,0.0198,12,16, 0.0378,-0.1209,2.2022,0.0328,13,15, 0.0325,0.3806,2.0534,0.0299,14,17, -0.1429,0.5818,2.0170,0.0172,15,19, -0.1034,0.6093,2.0410,0.0099,15,22, 0.0205,-0.1726,2.3263,0.0325,16,18, 0.0152,0.3933,2.1812,0.0299,17,20, -0.1619,0.6444,2.0747,0.0172,18,23, -0.1169,0.6763,2.1220,0.0099,19,26, 0.0358,-0.2209,2.4633,0.0325,20,21, -0.0339,0.3043,2.3098,0.0295,21,24, -0.1719,0.7324,2.1603,0.0172,22,27, -0.1309,0.7083,2.1800,0.0099,23,30, 0.0378,-0.2939,2.5967,0.0324,24,25, 0.0050,0.2054,2.5183,0.0291,25,28, -0.2061,0.8030,2.2447,0.0172,26,31, -0.1394,0.7148,2.2265,0.0099,27,35, 0.0741,-0.3192,2.7585,0.0254,28,29, 0.0044,-0.4309,2.7325,0.0201,28,33, -0.0959,0.2711,2.6203,0.0212,29,32, -0.0667,0.1102,2.6278,0.0197,29,37, -0.2412,0.8838,2.2890,0.0172,30,36, -0.1087,0.7176,2.3004,0.0099,31,41, 0.1111,-0.3567,2.8820,0.0254,32,34, -0.0505,-0.5006,2.8197,0.0201,33,39, -0.0599,0.3073,2.6800,0.0212,34,38, -0.0759,0.1275,2.7308,0.0197,35,43, -0.2785,0.9464,2.3633,0.0172,36,42, 0.1311,-0.3979,3.0303,0.0254,38,40, -0.1134,-0.6227,2.8993,0.0201,39,45, 0.0088,0.3358,2.7843,0.0212,40,44, -0.1168,0.1469,2.7978,0.0197,41,48, -0.2986,1.0128,2.4297,0.0172,42,47, 0.1325,-0.4416,3.1988,0.0254,43,46, -0.1804,-0.6907,2.9590,0.0154,44,50, -0.1290,-0.7122,2.9810,0.0129,44,55, 0.0673,0.3832,2.8496,0.0212,45,49, -0.1692,0.1603,2.8724,0.0197,46,53, -0.3189,1.0668,2.4665,0.0143,47,52, 0.1746,-0.4620,3.3255,0.0231,48,51, -0.2332,-0.7333,3.0066,0.0154,49,56, -0.1234,-0.7687,3.0250,0.0129,50,62, 0.1111,0.4793,2.8910,0.0183,51,54, 0.0530,0.4640,2.9487,0.0108,51,60, -0.2119,0.1345,2.9852,0.0186,52,59, -0.3155,1.1296,2.5242,0.0143,53,58, 0.1881,-0.4689,3.4450,0.0231,54,57, -0.2685,-0.7976,3.0643,0.0132,55,63, -0.1319,-0.8022,3.0560,0.0128,56,69, 0.1035,0.6132,2.8785,0.0182,57,61, 0.0657,0.4271,3.0245,0.0108,58,67, -0.2557,0.1186,3.1072,0.0186,59,66, -0.3249,1.1838,2.5547,0.0116,60,65, 0.2561,-0.4790,3.5498,0.0231,61,64, -0.3055,-0.8886,3.1673,0.0119,62,70, -0.1599,-0.8372,3.0907,0.0128,63,77, 0.2021,0.6373,2.9090,0.0163,64,68, 0.1203,0.7096,2.9366,0.0081,64,75, 0.0876,0.4823,3.0470,0.0107,65,74, -0.2626,0.0635,3.1622,0.0174,66,73, -0.3464,1.2313,2.6100,0.0116,67,72, 0.2761,-0.4969,3.6687,0.0180,68,71, 0.3355,-0.4779,3.6277,0.0146,68,79, -0.3194,-0.9527,3.2475,0.0119,69,78, -0.1739,-0.8872,3.1695,0.0128,70,85, 0.2475,0.7008,2.9343,0.0163,71,76, 0.0959,0.4990,3.1015,0.0107,73,83, -0.2474,-0.0002,3.2480,0.0169,74,82, -0.3529,1.2758,2.6475,0.0116,75,81, 0.2811,-0.5260,3.8443,0.0180,76,80, 0.3971,-0.4827,3.6600,0.0145,77,87, -0.3149,-1.0117,3.2870,0.0119,78,86, 0.3316,0.7948,2.9320,0.0163,80,84, 0.0774,0.5173,3.1315,0.0107,81,91, -0.2519,-0.0817,3.3635,0.0169,82,90, -0.3809,1.3678,2.7503,0.0116,83,89, 0.3048,-0.5389,3.9220,0.0149,84,88, 0.4611,-0.4892,3.7255,0.0115,85,94, -0.2909,-1.0927,3.3260,0.0114,86,93, 0.4388,0.7848,2.8960,0.0161,87,92, 0.0574,0.5888,3.1540,0.0107,88,97, -0.2201,-0.2160,3.4470,0.0169,89,96, 0.3425,-0.5872,4.0420,0.0149,91,95, 0.5006,0.7518,2.8560,0.0161,94,98, 0.0866,0.5908,3.2080,0.0107,95,101, -0.1582,-0.3719,3.5537,0.0169,96,100, 0.3536,-0.5975,4.1153,0.0115,97,99, 0.5081,0.6998,2.7905,0.0161,98,102, -0.0839,-0.6092,3.6685,0.0169,100,103, 0.4781,0.6723,2.7020,0.0156,102,104, 0.4025,0.6241,2.5833,0.0156,104,105, 0.3626,0.5748,2.5310,0.0156,105,106, 0.3116,0.5063,2.4790,0.0156,106,107, 0.2598,0.4308,2.4513,0.0155,107,108 diff --git a/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees_info.txt b/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees_info.txt index 7a41ef5840..7a8a578ed5 100644 --- a/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees_info.txt +++ b/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees_info.txt @@ -1,3 +1,3 @@ # Tree file. Optional per-tree attributes (e.g. 'height,crown_radius, ') followed by 'x,y,z,radius' and any additional per-segment attributes: height,crown_radius,dimension,monocotal,DBH,bend,branch_slope, x,y,z,radius,parent_id,section_id,volume,diameter,length,strength,min_strength,dominance,angle,children -5.1550,1.8371,1.7128,0.2588,0.0768,0.0635,1.2881, -0.0004,-0.0005,-0.0400,0.0525,-1,0.0000,0.0320,0.1050,5.5269,0.0334,0.0334,0.2470,41.4593,1.0000, 0.0008,-0.0009,0.5044,0.0525,0,1.0000,0.0047,0.1050,5.5269,0.0334,0.0334,0.0000,0.0000,1.0000, 0.0300,-0.0450,0.7800,0.0523,1,2.0000,0.0024,0.1046,4.9825,0.0369,0.0334,0.0000,0.0000,1.0000, 0.0033,-0.0052,1.0377,0.0523,2,3.0000,0.0023,0.1046,4.7018,0.0391,0.0334,0.0756,35.2632,2.0000, -0.0056,0.0493,1.2587,0.0384,3,4.0000,0.0011,0.0768,4.4397,0.0329,0.0329,0.0000,0.0000,1.0000, 0.0203,-0.0530,1.2240,0.0356,3,5.0000,0.0008,0.0712,4.2204,0.0327,0.0327,0.0000,0.0000,1.0000, -0.0260,0.1583,1.4181,0.0384,4,6.0000,0.0009,0.0768,4.2119,0.0346,0.0329,0.0000,0.0000,1.0000, -0.0100,-0.0580,1.4800,0.0356,5,7.0000,0.0010,0.0712,4.0273,0.0342,0.0327,0.0000,0.0000,1.0000, -0.0405,0.2458,1.5522,0.0384,6,8.0000,0.0007,0.0768,4.0177,0.0363,0.0329,0.0000,0.0000,1.0000, -0.0133,-0.0633,1.7300,0.0356,7,9.0000,0.0010,0.0712,3.7694,0.0366,0.0327,0.0000,0.0000,1.0000, -0.0558,0.3339,1.6914,0.0384,8,10.0000,0.0008,0.0768,3.8570,0.0378,0.0329,0.3833,43.1275,2.0000, -0.0100,-0.0750,1.8750,0.0355,9,11.0000,0.0006,0.0710,3.5194,0.0391,0.0327,0.0000,0.0000,1.0000, -0.0221,0.3834,1.8933,0.0319,10,12.0000,0.0007,0.0638,3.6915,0.0344,0.0329,0.0000,0.0000,1.0000, -0.0650,0.4650,1.8400,0.0213,10,14.0000,0.0003,0.0426,2.5414,0.0369,0.0329,0.0000,0.0000,1.0000, 0.0175,-0.1334,2.0886,0.0355,11,13.0000,0.0009,0.0710,3.3739,0.0408,0.0327,0.0000,0.0000,1.0000, 0.0276,0.3805,2.0381,0.0319,12,15.0000,0.0005,0.0638,3.4809,0.0365,0.0329,0.0000,0.0000,1.0000, -0.0950,0.5225,1.9500,0.0213,13,17.0000,0.0002,0.0426,2.3430,0.0400,0.0329,0.0000,0.0000,1.0000, 0.0300,-0.1200,2.2040,0.0351,14,16.0000,0.0005,0.0702,3.1507,0.0433,0.0327,0.0000,0.0000,1.0000, 0.0157,0.3912,2.1720,0.0319,15,18.0000,0.0004,0.0638,3.3278,0.0381,0.0329,0.0000,0.0000,1.0000, -0.1050,0.6050,2.0400,0.0211,16,20.0000,0.0002,0.0422,2.2153,0.0420,0.0329,0.0000,0.0000,1.0000, 0.0461,-0.1344,2.3103,0.0351,17,19.0000,0.0004,0.0702,3.0339,0.0450,0.0327,0.0000,0.0000,1.0000, -0.0325,0.3050,2.3100,0.0316,18,21.0000,0.0005,0.0632,3.1929,0.0395,0.0329,0.0000,0.0000,1.0000, -0.1200,0.6750,2.1250,0.0211,19,23.0000,0.0002,0.0422,2.0928,0.0445,0.0329,0.5228,54.0205,2.0000, 0.0367,-0.2200,2.4633,0.0347,20,22.0000,0.0007,0.0694,2.9254,0.0462,0.0327,0.1825,17.0394,2.0000, 0.0049,0.2169,2.5093,0.0313,21,24.0000,0.0007,0.0626,3.0232,0.0414,0.0329,0.0501,33.3364,2.0000, -0.1633,0.7333,2.1900,0.0184,22,26.0000,0.0001,0.0368,1.9817,0.0424,0.0329,0.0000,0.0000,1.0000, -0.1178,0.7124,2.2245,0.0103,22,30.0000,0.0000,0.0206,1.1903,0.0457,0.0329,0.0000,0.0000,1.0000, 0.0550,-0.2675,2.5850,0.0267,23,25.0000,0.0003,0.0534,2.7498,0.0404,0.0327,0.0000,0.0000,1.0000, 0.0640,-0.2840,2.5760,0.0222,23,28.0000,0.0002,0.0444,2.2917,0.0422,0.0327,0.0000,0.0000,1.0000, 0.0450,0.1629,2.5958,0.0225,24,27.0000,0.0002,0.0450,2.8022,0.0349,0.0329,0.0000,0.0000,1.0000, -0.0518,0.1240,2.6016,0.0214,24,32.0000,0.0002,0.0428,2.6783,0.0351,0.0329,0.0000,0.0000,1.0000, -0.2225,0.8475,2.2725,0.0184,25,31.0000,0.0002,0.0368,1.8842,0.0446,0.0329,0.0000,0.0000,1.0000, -0.1100,0.7225,2.3075,0.0103,26,36.0000,0.0000,0.0206,1.0840,0.0502,0.0329,0.0000,0.0000,0.0000, 0.0750,-0.3200,2.7600,0.0267,27,29.0000,0.0004,0.0534,2.6179,0.0424,0.0327,0.0000,0.0000,1.0000, 0.0520,-0.3640,2.7140,0.0222,28,34.0000,0.0002,0.0444,2.1592,0.0448,0.0327,0.0000,0.0000,1.0000, 0.0250,0.2600,2.7400,0.0225,29,33.0000,0.0003,0.0450,2.6926,0.0363,0.0329,0.0000,0.0000,1.0000, -0.0750,0.1250,2.7300,0.0214,30,38.0000,0.0002,0.0428,2.5356,0.0371,0.0329,0.0000,0.0000,1.0000, -0.2650,0.9375,2.3500,0.0184,31,37.0000,0.0001,0.0368,1.7314,0.0485,0.0329,0.3790,26.2442,2.0000, 0.1100,-0.3600,2.8850,0.0267,33,35.0000,0.0003,0.0534,2.4341,0.0456,0.0327,0.0000,0.0000,1.0000, -0.0098,-0.4474,2.7674,0.0222,34,40.0000,0.0002,0.0444,1.9993,0.0484,0.0327,0.0000,0.0000,1.0000, 0.0600,0.3567,2.8233,0.0225,35,39.0000,0.0002,0.0450,2.5176,0.0388,0.0329,0.4611,87.9137,2.0000, -0.1075,0.1300,2.7900,0.0213,36,43.0000,0.0001,0.0426,2.4052,0.0390,0.0329,0.0000,0.0000,1.0000, -0.2833,1.0000,2.4233,0.0152,37,42.0000,0.0001,0.0304,1.6052,0.0454,0.0329,0.0000,0.0000,1.0000, -0.3100,0.9933,2.4167,0.0102,37,47.0000,0.0000,0.0204,1.0979,0.0492,0.0329,0.0000,0.0000,0.0000, 0.1250,-0.4050,3.0050,0.0267,38,41.0000,0.0003,0.0534,2.2983,0.0483,0.0327,0.0000,0.0000,1.0000, -0.0400,-0.5100,2.8120,0.0222,39,45.0000,0.0001,0.0444,1.8825,0.0514,0.0327,0.0000,0.0000,1.0000, 0.0967,0.4467,2.8733,0.0191,40,44.0000,0.0001,0.0382,2.3852,0.0362,0.0329,0.0000,0.0000,1.0000, 0.0497,0.4464,2.9199,0.0119,40,50.0000,0.0001,0.0238,1.5086,0.0402,0.0329,0.0000,0.0000,1.0000, -0.1704,0.1585,2.8855,0.0213,41,49.0000,0.0002,0.0426,2.3367,0.0401,0.0329,0.0000,0.0000,1.0000, -0.2948,1.0738,2.4693,0.0152,42,48.0000,0.0001,0.0304,1.5072,0.0483,0.0329,0.0000,0.0000,1.0000, 0.1340,-0.4420,3.2000,0.0267,44,46.0000,0.0004,0.0534,2.1692,0.0512,0.0327,0.0000,0.0000,1.0000, -0.1120,-0.6360,2.9080,0.0222,45,52.0000,0.0003,0.0444,1.7999,0.0537,0.0327,0.0000,0.0000,1.0000, 0.0993,0.6170,2.8780,0.0191,46,51.0000,0.0002,0.0382,2.2759,0.0380,0.0329,0.0000,0.0000,1.0000, 0.0800,0.4467,2.9733,0.0116,47,56.0000,0.0000,0.0232,1.3763,0.0432,0.0329,0.0000,0.0000,1.0000, -0.2000,0.1500,2.9833,0.0201,48,55.0000,0.0001,0.0402,2.2189,0.0405,0.0329,0.0000,0.0000,1.0000, -0.3100,1.1300,2.5450,0.0152,49,54.0000,0.0001,0.0304,1.4195,0.0513,0.0329,0.0000,0.0000,1.0000, 0.1750,-0.4625,3.3275,0.0243,50,53.0000,0.0003,0.0486,1.9706,0.0525,0.0327,0.0000,0.0000,1.0000, -0.1100,-0.7100,2.9833,0.0190,51,58.0000,0.0001,0.0380,1.6259,0.0529,0.0327,0.0000,0.0000,1.0000, 0.2000,0.6350,2.9050,0.0180,52,57.0000,0.0001,0.0360,2.1056,0.0393,0.0329,0.0000,0.0000,1.0000, 0.0900,0.4800,3.0500,0.0116,53,62.0000,0.0000,0.0232,1.3149,0.0452,0.0329,0.0000,0.0000,1.0000, -0.2560,0.1200,3.1040,0.0201,54,61.0000,0.0002,0.0402,2.1164,0.0424,0.0329,0.0000,0.0000,1.0000, -0.3287,1.1993,2.5983,0.0152,55,60.0000,0.0001,0.0304,1.3240,0.0550,0.0329,0.0000,0.0000,1.0000, 0.1900,-0.4700,3.4467,0.0243,56,59.0000,0.0002,0.0486,1.8351,0.0564,0.0327,0.0000,0.0000,1.0000, -0.1280,-0.7820,3.0440,0.0190,57,64.0000,0.0001,0.0380,1.5204,0.0566,0.0327,0.0000,0.0000,1.0000, 0.2467,0.7000,2.9333,0.0180,58,63.0000,0.0001,0.0360,1.9998,0.0413,0.0329,0.0000,0.0000,1.0000, 0.0833,0.5083,3.1149,0.0116,59,68.0000,0.0000,0.0232,1.2307,0.0483,0.0329,0.0000,0.0000,1.0000, -0.2625,0.0650,3.1625,0.0189,60,67.0000,0.0001,0.0378,1.9800,0.0433,0.0329,0.0000,0.0000,1.0000, -0.3500,1.2533,2.6300,0.0122,61,66.0000,0.0000,0.0244,1.2346,0.0500,0.0329,0.0000,0.0000,1.0000, 0.2580,-0.4800,3.5500,0.0243,62,65.0000,0.0002,0.0486,1.7147,0.0604,0.0327,0.2094,55.3651,2.0000, -0.1496,-0.8424,3.1172,0.0190,63,70.0000,0.0001,0.0380,1.4245,0.0604,0.0327,0.0000,0.0000,1.0000, 0.3350,0.7950,2.9350,0.0178,64,69.0000,0.0001,0.0356,1.9149,0.0428,0.0329,0.0000,0.0000,1.0000, 0.0575,0.5900,3.1525,0.0115,65,74.0000,0.0000,0.0230,1.1596,0.0509,0.0329,0.0000,0.0000,1.0000, -0.2450,0.0000,3.2500,0.0182,66,73.0000,0.0001,0.0364,1.8994,0.0439,0.0329,0.0000,0.0000,1.0000, -0.3833,1.3667,2.7500,0.0122,67,72.0000,0.0001,0.0244,1.1684,0.0528,0.0329,0.0000,0.0000,0.0000, 0.2750,-0.4925,3.6600,0.0188,68,71.0000,0.0001,0.0376,1.5906,0.0537,0.0327,0.0000,0.0000,1.0000, 0.3250,-0.4850,3.6100,0.0152,68,77.0000,0.0001,0.0304,1.2688,0.0574,0.0327,0.0000,0.0000,1.0000, -0.1967,-0.9933,3.2467,0.0157,69,76.0000,0.0002,0.0314,1.3271,0.0562,0.0327,0.0000,0.0000,1.0000, 0.4400,0.7833,2.9000,0.0174,70,75.0000,0.0001,0.0348,1.7852,0.0451,0.0329,0.0000,0.0000,1.0000, 0.0900,0.5900,3.2100,0.0115,71,80.0000,0.0000,0.0230,1.0660,0.0554,0.0329,0.0000,0.0000,0.0000, -0.2467,-0.0800,3.3333,0.0182,72,79.0000,0.0001,0.0364,1.7890,0.0466,0.0329,0.0000,0.0000,1.0000, 0.2800,-0.5250,3.8425,0.0188,74,78.0000,0.0002,0.0376,1.4786,0.0577,0.0327,0.0000,0.0000,1.0000, 0.4000,-0.4850,3.6600,0.0152,75,83.0000,0.0001,0.0304,1.1787,0.0618,0.0327,0.0000,0.0000,1.0000, -0.2400,-1.0933,3.3033,0.0124,76,82.0000,0.0001,0.0248,1.1228,0.0557,0.0327,0.0000,0.0000,0.0000, 0.4900,0.7500,2.8600,0.0174,77,81.0000,0.0001,0.0348,1.6739,0.0481,0.0329,0.0000,0.0000,1.0000, -0.2300,-0.1800,3.3950,0.0181,79,85.0000,0.0001,0.0362,1.6735,0.0496,0.0329,0.0000,0.0000,1.0000, 0.3033,-0.5533,3.9233,0.0154,80,84.0000,0.0001,0.0308,1.2932,0.0569,0.0327,0.0000,0.0000,1.0000, 0.4600,-0.4900,3.7250,0.0120,81,87.0000,0.0000,0.0240,1.0886,0.0560,0.0327,0.0000,0.0000,0.0000, 0.5050,0.7000,2.7900,0.0174,83,86.0000,0.0001,0.0348,1.6017,0.0503,0.0329,0.0000,0.0000,1.0000, -0.2000,-0.2533,3.4767,0.0181,84,89.0000,0.0001,0.0362,1.5548,0.0534,0.0329,0.0000,0.0000,1.0000, 0.3400,-0.5750,4.0200,0.0154,85,88.0000,0.0001,0.0308,1.2045,0.0610,0.0327,0.0000,0.0000,1.0000, 0.4750,0.6700,2.7000,0.0169,87,90.0000,0.0001,0.0338,1.5144,0.0521,0.0329,0.0000,0.0000,1.0000, -0.1250,-0.4350,3.5750,0.0181,88,92.0000,0.0002,0.0362,1.4410,0.0576,0.0329,0.0000,0.0000,1.0000, 0.3550,-0.5975,4.1150,0.0119,89,91.0000,0.0000,0.0238,1.0988,0.0551,0.0327,0.0000,0.0000,0.0000, 0.4000,0.6200,2.5833,0.0168,90,93.0000,0.0001,0.0336,1.4149,0.0555,0.0329,0.0000,0.0000,1.0000, -0.1033,-0.6267,3.6833,0.0181,91,94.0000,0.0002,0.0362,1.2212,0.0680,0.0329,0.0000,0.0000,0.0000, 0.3333,0.5367,2.5033,0.0168,93,95.0000,0.0001,0.0336,1.2674,0.0619,0.0329,0.0000,0.0000,1.0000, 0.2625,0.4375,2.4475,0.0168,95,96.0000,0.0001,0.0336,1.1340,0.0692,0.0329,0.0000,0.0000,0.0000 +5.0983,1.8374,1.8689,0.3016,0.0716,0.0631,1.1658, -0.0001,0.0000,0.0170,0.0496,-1,0.0000,0.0280,0.0990,5.5597,0.0317,0.0317,0.2688,48.0908,1.0000, -0.0041,0.0072,0.3102,0.0495,0,1.0000,0.0023,0.0990,5.5597,0.0317,0.0317,0.0000,0.0000,1.0000, -0.0197,-0.0208,0.5441,0.0495,1,2.0000,0.0018,0.0990,5.2664,0.0335,0.0317,0.0000,0.0000,1.0000, 0.0289,-0.0430,0.7817,0.0494,2,3.0000,0.0019,0.0988,5.0303,0.0350,0.0317,0.0000,0.0000,1.0000, 0.0022,-0.0065,1.0393,0.0494,3,4.0000,0.0020,0.0988,4.7868,0.0368,0.0317,0.0000,0.0000,1.0000, 0.0051,0.0015,1.2568,0.0488,4,5.0000,0.0016,0.0976,4.5252,0.0386,0.0317,0.0753,40.0630,2.0000, -0.0355,0.1312,1.3994,0.0358,5,6.0000,0.0008,0.0716,4.3076,0.0321,0.0317,0.0000,0.0000,1.0000, -0.0101,-0.0525,1.5017,0.0332,5,7.0000,0.0009,0.0664,4.0056,0.0327,0.0317,0.0000,0.0000,1.0000, 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0.2598,0.4308,2.4513,0.0155,107,108.0000,0.0001,0.0310,1.0957,0.0674,0.0317,0.0000,0.0000,0.0000 diff --git a/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees_mesh.ply b/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees_mesh.ply index f1ac898d6e..fda4cd9908 100644 Binary files a/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees_mesh.ply and b/tools/3dtrees_raycloudtools/test-data/Example_Tree_RCT_trees_mesh.ply differ diff --git a/tools/cellpose_v4/.shed.yml b/tools/cellpose_v4/.shed.yml index 6155d660fc..785113ced1 100644 --- a/tools/cellpose_v4/.shed.yml +++ b/tools/cellpose_v4/.shed.yml @@ -2,13 +2,12 @@ name: cellposesam owner: bgruening categories: - Imaging -description: CellPose SAM -remote_repository_url: https://github.com/bgruening/galaxytools/tree/master/tools +description: Cellpose-SAM +remote_repository_url: https://github.com/bgruening/galaxytools/tree/master/tools/cellpose_v4 type: unrestricted homepage_url: https://cellpose.org long_description: | Cellpose-SAM: cell and nucleus segmentation with superhuman generalization. It can be optimized for your own data, applied in 3D, works on images with shot noise, (an)isotropic blur, undersampling, contrast inversions, regardless of channel order and object sizes. auto_tool_repositories: name_template: "{{ tool_id }}" - description_template: "Wrapper for CellPoseSAM {{ tool_name }}." - + description_template: "Wrapper for Cellpose-SAM {{ tool_name }}." diff --git a/tools/cellpose_v4/cellpose.xml b/tools/cellpose_v4/cellpose.xml index 486f90e91c..e0dc341eea 100644 --- a/tools/cellpose_v4/cellpose.xml +++ b/tools/cellpose_v4/cellpose.xml @@ -2,7 +2,7 @@ with Cellpose-SAM 4.0.8 - 0 + 1 cellpose @@ -97,7 +97,7 @@ - + +
+ +
@@ -159,6 +162,9 @@ +
+ +
@@ -177,6 +183,7 @@
+ diff --git a/tools/llm_hub/macros.xml b/tools/llm_hub/macros.xml index 8e26221bea..23b484328c 100644 --- a/tools/llm_hub/macros.xml +++ b/tools/llm_hub/macros.xml @@ -1,3 +1,3 @@ - 2.32.0 + 2.36.0 diff --git a/tools/logan_proteins/.shed.yml b/tools/logan_proteins/.shed.yml index f6e1e85566..8feec5dcda 100644 --- a/tools/logan_proteins/.shed.yml +++ b/tools/logan_proteins/.shed.yml @@ -13,7 +13,7 @@ long_description: | are validated and aligned with MMseqs2. The approach scales sub-linearly with the number of queries, making it practical for large-scale metagenomic and comparative-proteomics workflows. -remote_repository_url: https://github.com/bgruening/galaxytools/tree/master/tools/search_proteins +remote_repository_url: https://github.com/bgruening/galaxytools/tree/master/tools/logan_proteins type: unrestricted auto_tool_repositories: name_template: "{{ tool_id }}" diff --git a/tools/logan_proteins/embed_query.xml b/tools/logan_proteins/embed_query.xml index 4954a1ac87..81e666eae0 100644 --- a/tools/logan_proteins/embed_query.xml +++ b/tools/logan_proteins/embed_query.xml @@ -9,10 +9,11 @@ FORCE_CPU="--force_cpu" else FORCE_CPU=""; - fi && + fi && + ln -s '$query_sequences' query_sequences.fasta && mkdir -p results && python /app/embed_query.py - --query_sequences '$query_sequences' + --query_sequences query_sequences.fasta --output results -F \$FORCE_CPU @@ -50,9 +51,6 @@ This is the first step in a two-step protein search pipeline: - **Query sequences**: A FASTA file containing protein sequences to be embedded -**Parameters** - -- **Force CPU usage**: By default, CPU will be used. Disable this option to use GPU instead if available. **Outputs** diff --git a/tools/logan_proteins/macros.xml b/tools/logan_proteins/macros.xml index 813e50fe8e..d791d85d73 100644 --- a/tools/logan_proteins/macros.xml +++ b/tools/logan_proteins/macros.xml @@ -1,10 +1,10 @@ - 1.2.0 + 1.2.2 0 25.0 - quay.io/bgruening/logan-protein:1.2.0 + quay.io/bgruening/logan-protein:1.2.2 diff --git a/tools/logan_proteins/search_database.xml b/tools/logan_proteins/search_database.xml index b6e1057c05..6da9dc36b0 100644 --- a/tools/logan_proteins/search_database.xml +++ b/tools/logan_proteins/search_database.xml @@ -9,11 +9,14 @@ mkdir -p results/intermediate_files && ln -s '$query_embeddings_npy' results/intermediate_files/query_embeddings.npy && ln -s '$query_embeddings_names' results/intermediate_files/query_embeddings.names.txt && + ln -s '$query_sequences' query_sequences.fasta && python /app/search_database.py --database '$database.fields.path' + $deep_search --output results/ - --query_sequences '$query_sequences' + --query_sequences query_sequences.fasta --num_threads \${GALAXY_SLOTS:-8} + --memory \${GALAXY_MEMORY_MB:-16000} #if $outfmt: --outfmt '$outfmt' #end if @@ -36,6 +39,7 @@ + @@ -49,6 +53,7 @@ + @@ -74,6 +79,7 @@ with MMseqs2. It is the second step in the protein search pipeline. - **Original query sequences**: The same FASTA file used for embedding (required for MMseqs2 alignment) - **Query embeddings (npy)**: Output from the Embed Query tool - **Query embedding names**: Text file with sequence names from the Embed Query tool +- **Deep search mode**: Optional flag to enable deep search, which extracts proteins from all search results instead of only aligned centroids, then aligns everything with MMseqs2 **Parameters** diff --git a/tools/logan_proteins/test-data/faiss_database.loc b/tools/logan_proteins/test-data/faiss_database.loc index 2394f5c94b..a226d158fe 100644 --- a/tools/logan_proteins/test-data/faiss_database.loc +++ b/tools/logan_proteins/test-data/faiss_database.loc @@ -3,4 +3,4 @@ # - db-name # - version # - /path/to/data -faiss-demo-db-20260203 FAISS Test Database 1.2.0 ${__HERE__}/test-db/ \ No newline at end of file +faiss-demo-db-20260203 FAISS Test Database 1.2.2 ${__HERE__}/test-db/ \ No newline at end of file diff --git a/tools/logan_proteins/tool-data/faiss_database.loc.sample b/tools/logan_proteins/tool-data/faiss_database.loc.sample index 058761bcac..05be18eaa6 100644 --- a/tools/logan_proteins/tool-data/faiss_database.loc.sample +++ b/tools/logan_proteins/tool-data/faiss_database.loc.sample @@ -1,5 +1,5 @@ #This is a sample file distributed with Galaxy that enables tools -#to use a directory of metagenomics files. +#to use a directory of FAISS database files. #file has this format (white space characters are TAB characters) # - db-build-version-date # - db-name diff --git a/tools/mafft/macros.xml b/tools/mafft/macros.xml index 3c9a44134b..cad96e4be7 100644 --- a/tools/mafft/macros.xml +++ b/tools/mafft/macros.xml @@ -1,6 +1,6 @@ 7.526 - 2 + 3 22.01 diff --git a/tools/mafft/mafft.xml b/tools/mafft/mafft.xml index bb990c102c..b8c142b3fa 100644 --- a/tools/mafft/mafft.xml +++ b/tools/mafft/mafft.xml @@ -54,6 +54,7 @@ ## run MAFFT with predefined MSA flavours or custom settings #if $flavour.type == "custom" mafft + $preservecase #if $flavour.guidetree.guidetree_generation == "original" #if $flavour.guidetree.dist_flavour.distance_method == "--6merpair" --6merpair @@ -97,6 +98,7 @@ $flavour.progressive_alignment_calculation.noscore #else $flavour.type + $preservecase #if $flavour.type == "mafft-ginsi" or "--globalpair" in str($flavour.type) #if $flavour.treat_unrelated_segments.unalignlevel > 0 --allowshift --unalignlevel $flavour.treat_unrelated_segments.unalignlevel @@ -325,6 +327,14 @@ cat $dataset >> input.fa + diff --git a/tools/rag/download_embeddings.py b/tools/rag/download_embeddings.py index c307ded6ad..2c0302a9c5 100644 --- a/tools/rag/download_embeddings.py +++ b/tools/rag/download_embeddings.py @@ -1,9 +1,13 @@ +# /// script +# requires-python = ">=3.9" +# dependencies = ["huggingface_hub"] +# /// import argparse import os import sys from pathlib import Path -from sentence_transformers import SentenceTransformer +from huggingface_hub import snapshot_download def main(): @@ -34,8 +38,7 @@ def main(): print(f"[PATH] Destination: {out_dir}") try: - model = SentenceTransformer(model_id) - model.save(str(out_dir)) + snapshot_download(repo_id=model_id, local_dir=str(out_dir)) print(f"[SUCCESS] Saved {model_id}") except Exception as e: print(f"[ERROR] Could not download {model_id}: {e}") diff --git a/tools/rag/rag_retriever.py b/tools/rag/rag_retriever.py index ced73a6bb2..a666f26bf5 100644 --- a/tools/rag/rag_retriever.py +++ b/tools/rag/rag_retriever.py @@ -33,7 +33,7 @@ def main(): docs: list[Document] = [] - valid_file_types = ["pdf", "json", "txt", "csv", "md"] + valid_file_types = ["pdf", "json", "txt", "csv", "markdown"] for file_path, file_type in context_files: if file_type not in valid_file_types: diff --git a/tools/rag/rag_retriever.xml b/tools/rag/rag_retriever.xml index e39f118ee9..d3eb090133 100644 --- a/tools/rag/rag_retriever.xml +++ b/tools/rag/rag_retriever.xml @@ -4,7 +4,7 @@ 1.0.0 - 0 + 1 0.14.18 @@ -58,7 +58,7 @@ python '$__tool_directory__/rag_retriever.py' '$context_files' '$question' '$MOD - + # # For this tool, embedding models can be registered here and selected via the existing -# Galaxy "huggingface" data table. +# Galaxy "huggingface" data table. Use free_tag=vector-rag to make models visible to +# the RAG retriever tool. # # Example entries for embedding models: # -# sentence-transformers/all-MiniLM-L6-v2 all-MiniLM-L6-v2 feature-extraction text embedding 1 /path/to/huggingface_models/sentence-transformers/all-MiniLM-L6-v2 -# BAAI/bge-small-en BAAI bge-small-en feature-extraction text embedding 1 /path/to/huggingface_models/BAAI/bge-small-en \ No newline at end of file +# sentence-transformers/all-MiniLM-L6-v2 all-MiniLM-L6-v2 feature-extraction text vector-rag 1 /path/to/huggingface_models/sentence-transformers/all-MiniLM-L6-v2 +# BAAI/bge-small-en BAAI bge-small-en feature-extraction text vector-rag 1 /path/to/huggingface_models/BAAI/bge-small-en \ No newline at end of file diff --git a/tools/rna_tools/ribotaper/macros.xml b/tools/rna_tools/ribotaper/macros.xml index 4ac71c28ad..2e00e4be53 100644 --- a/tools/rna_tools/ribotaper/macros.xml +++ b/tools/rna_tools/ribotaper/macros.xml @@ -1,11 +1,11 @@ - 1.3.1a - 2 + 1.3.1 + 0 ribotaper - coreutils - ghostscript + coreutils + ghostscript diff --git a/tools/rna_tools/ribotaper/ribotaper_part1_create_annotation_files.xml b/tools/rna_tools/ribotaper/ribotaper_part1_create_annotation_files.xml index d39ba3bbf1..4009889695 100644 --- a/tools/rna_tools/ribotaper/ribotaper_part1_create_annotation_files.xml +++ b/tools/rna_tools/ribotaper/ribotaper_part1_create_annotation_files.xml @@ -26,7 +26,7 @@ ]]> - diff --git a/tools/rna_tools/ribotaper/ribotaper_part3_main.xml b/tools/rna_tools/ribotaper/ribotaper_part3_main.xml index 0404c93a00..d37285c24b 100644 --- a/tools/rna_tools/ribotaper/ribotaper_part3_main.xml +++ b/tools/rna_tools/ribotaper/ribotaper_part3_main.xml @@ -8,8 +8,8 @@ - - - + + + @@ -55,6 +55,12 @@ + + + + + + diff --git a/tools/rna_tools/sortmerna/macros.xml b/tools/rna_tools/sortmerna/macros.xml index cb8a3d2173..2e1ecac083 100644 --- a/tools/rna_tools/sortmerna/macros.xml +++ b/tools/rna_tools/sortmerna/macros.xml @@ -1,5 +1,5 @@ - 4.4.0 + 5.0.0 0 diff --git a/tools/tiara/macros.xml b/tools/tiara/macros.xml index ced8daa721..bc0eed5e16 100644 --- a/tools/tiara/macros.xml +++ b/tools/tiara/macros.xml @@ -1,10 +1,10 @@ 1.0.3 - galaxy0 + 2 + 25.1 tiara - python diff --git a/tools/tiara/tiara.xml b/tools/tiara/tiara.xml index d272929edb..e942a7f01c 100644 --- a/tools/tiara/tiara.xml +++ b/tools/tiara/tiara.xml @@ -1,4 +1,4 @@ - + Deep-learning-based approach for identification of eukaryotic sequences in the metagenomic data macros.xml @@ -6,11 +6,12 @@ - - - - - - - + + + + + + + + + + + + + + + + + + @@ -78,40 +86,61 @@
- - + + fasta_output['produce_fasta'] == 'yes' + + + - + - - - - + + + + + + + + + + - + - - - - - - + + + + + + + + + + + + - + - + + - - - + + + + + + + + + from AnnData and image Zarr inputs + + macros.xml + + + + + + + + + + + +
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\ No newline at end of file diff --git a/tools/webatlas/consolidate_md.xml b/tools/webatlas/consolidate_md.xml new file mode 100644 index 0000000000..1618c7e01b --- /dev/null +++ b/tools/webatlas/consolidate_md.xml @@ -0,0 +1,98 @@ + + Converts an image to Zarr and consolidates metadata + + macros.xml + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/tools/webatlas/generate_image.xml b/tools/webatlas/generate_image.xml new file mode 100644 index 0000000000..0fb625dbb3 --- /dev/null +++ b/tools/webatlas/generate_image.xml @@ -0,0 +1,317 @@ + + Generate label/raw TIFF image from spatial metadata + + macros.xml + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
+ + + + + + + +
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\ No newline at end of file diff --git a/tools/webatlas/macros.xml b/tools/webatlas/macros.xml new file mode 100644 index 0000000000..edc145341c --- /dev/null +++ b/tools/webatlas/macros.xml @@ -0,0 +1,189 @@ + + 0.5.3 + 0 + 25.1 + + + quay.io/bgruening/galaxy-webatlas:v0.5.3-1 + + + + + + + + + + + + + + + + + +
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + https://doi.org/10.1038/s41592-024-02371-x + + + +
diff --git a/tools/webatlas/ome_zarr_metadata.xml b/tools/webatlas/ome_zarr_metadata.xml new file mode 100644 index 0000000000..e97e86916b --- /dev/null +++ b/tools/webatlas/ome_zarr_metadata.xml @@ -0,0 +1,79 @@ + + extraction as JSON + + macros.xml + + + output.json + ]]> + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/tools/webatlas/router.xml b/tools/webatlas/router.xml new file mode 100644 index 0000000000..89a5204e84 --- /dev/null +++ b/tools/webatlas/router.xml @@ -0,0 +1,421 @@ + + into AnnData-Zarr + + macros.xml + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 'h5ad' not in input_type['input_type_selector'] and input_type['save_h5ad'] + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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\ No newline at end of file diff --git a/tools/webatlas/write_spatialdata.xml b/tools/webatlas/write_spatialdata.xml new file mode 100644 index 0000000000..955913849f --- /dev/null +++ b/tools/webatlas/write_spatialdata.xml @@ -0,0 +1,133 @@ + + AnnData and images into SpatialData Zarr + + macros.xml + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file