Skip to content

Pull requests: ddmms/ml-peg

New pull request New
23 Open 141 Closed
23 Open 141 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

CPOSS209 molecular crystals benchmark lr new benchmark Proposals and suggestions for new benchmarks
#351 opened Feb 6, 2026 by mikolgawk Loading…
5 tasks done
1
1
NEB surface reaction new benchmark Proposals and suggestions for new benchmarks
#350 opened Feb 6, 2026 by jungsdao Loading…
5 tasks done
1
1
Water slab dipoles new benchmark Proposals and suggestions for new benchmarks
#349 opened Feb 5, 2026 by MandyHoffmann Loading…
5 tasks done
1
Add GSCDB138 lr new benchmark Proposals and suggestions for new benchmarks
#346 opened Feb 5, 2026 by kuryla Loading…
2 of 5 tasks
1
Adding benchmarks for iron new benchmark Proposals and suggestions for new benchmarks
#345 opened Feb 4, 2026 by ttompa Loading…
5 tasks done
1
Added benchmark CRBH20 reaction energy barriers dataset new benchmark Proposals and suggestions for new benchmarks
#343 opened Feb 4, 2026 by Quantumplations Loading…
5 tasks done
1
[WIP] Benchmark of bulk crystal structure properties using quasiharmonic atomate2 workflow new benchmark Proposals and suggestions for new benchmarks
#342 opened Feb 4, 2026 by JonathanSchmidt1 Loading…
2 of 5 tasks
1
1
[WIP] High pressure crystals structure relaxations new benchmark Proposals and suggestions for new benchmarks
#340 opened Feb 4, 2026 by JonathanSchmidt1 Loading…
5 tasks done
1
Add new category containing interstitial benchmarks new benchmark Proposals and suggestions for new benchmarks
#337 opened Feb 4, 2026 by zhonganr Loading…
BMIM Cl bond formation benchmark new benchmark Proposals and suggestions for new benchmarks
#334 opened Feb 2, 2026 by PythonFZ Loading…
5 tasks done
Graphene wetting benchmark new benchmark Proposals and suggestions for new benchmarks
#333 opened Jan 31, 2026 by dwl38 Loading…
5 tasks done
1
2
WIP: EOS test as in section A13 of mace mp0 paper new benchmark Proposals and suggestions for new benchmarks
#327 opened Jan 30, 2026 by pgrigorev • Draft
2 of 5 tasks
1
1
Silicon interstitial NEBs new benchmark Proposals and suggestions for new benchmarks
#326 opened Jan 30, 2026 by zwei-beiner Loading…
5 tasks done
1
8
Added 2D TMDs NEB benchmark and docs updates new benchmark Proposals and suggestions for new benchmarks
#325 opened Jan 30, 2026 by Jad-J3far Loading…
5 tasks done
1
3
Extending elasticity benchmark to full elastic constant matrix new benchmark Proposals and suggestions for new benchmarks
#321 opened Jan 29, 2026 by Fraser-Birks Loading…
5 tasks done
1
3
Amorphous carbon, A.3.1 Appendix MP-0 new benchmark Proposals and suggestions for new benchmarks
#319 opened Jan 29, 2026 by ilyes319 Loading…
4 tasks done
1
add qmof test new benchmark Proposals and suggestions for new benchmarks
#315 opened Jan 29, 2026 by alinelena • Draft
DOCS: LLM agent integration (getting started) documentation Improvements or additions to documentation
#313 opened Jan 29, 2026 by stenczelt Loading…
1 task done
1
Track viewer analytics enhancement New feature or request
#273 opened Jan 22, 2026 by joehart2001 Loading…
1 task done
1
Battery Electrolyte Benchmarks (Inter-Intra, Volume Scans) lr new benchmark Proposals and suggestions for new benchmarks
#265 opened Jan 21, 2026 by PKourtis Loading…
5 tasks done
1
32
Download csv, png and svg of tables enhancement New feature or request
#219 opened Dec 16, 2025 by joehart2001 Loading…
1 task done
1
Select and hide models enhancement New feature or request
#191 opened Nov 26, 2025 by joehart2001 Loading…
1 task done
1
3
Add supramolecular benchmark: PLA15 example benchmark addition new benchmark Proposals and suggestions for new benchmarks
#69 opened Sep 24, 2025 by joehart2001 • Draft
5 tasks done
1
14
ProTip! Find all pull requests that aren't related to any open issues with -linked:issue.