Issues

• openpharmacophore.molecular_systems.exceptions.DifferentNumAtomsError: Ligand contains 27 atoms, while smiles contains 40 atoms

  uibcdf/OpenPharmacophore#86 · Filter by author JeongSooNa opened on Jul 15, 2024

• conda -c uibcdf openpharmacophore

  uibcdf/OpenPharmacophore#84 · Filter by author mapengsen opened on Aug 9, 2023
  2

• Support for Python 3.8, 3.9, 3.10

  enhancement
  uibcdf/OpenPharmacophore#63 · Filter by author Daniel-Ibarrola opened on Oct 7, 2022

• Trajectories for testing

  enhancement
  uibcdf/OpenPharmacophore#56 · Filter by author Daniel-Ibarrola opened on Aug 17, 2022
  2

• Ligand Based Pharmacophore

  enhancement
  uibcdf/OpenPharmacophore#53 · Filter by author Daniel-Ibarrola opened on Jun 30, 2022
  

• Add description to README

  enhancement
  uibcdf/OpenPharmacophore#52 · Filter by author Daniel-Ibarrola opened on Jun 27, 2022
  

• Git tag

  uibcdf/OpenPharmacophore#37 · Filter by author hadim opened on Nov 1, 2021
  5

• Better way to show the documentation of a class in the API section

  uibcdf/OpenPharmacophore#21 · Filter by author dprada opened on Jul 16, 2021

• A native format file is needed for a single pharmacophore and a library of pharmacophores

  enhancement
  uibcdf/OpenPharmacophore#19 · Filter by author dprada opened on Jul 16, 2021 · Version 1.0.0
  

• Input of external pharmacophores 'autodetecting' the format

  enhancement
  uibcdf/OpenPharmacophore#17 · Filter by author dprada opened on Jul 14, 2021 · Version 1.0.0