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0.1.117

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@lucidrains lucidrains released this 14 Jul 23:38
· 550 commits to main since this release
0.1.117
5b944dd

What's Changed

  • Fix a new source of crashes in cluster_pdb_mmcifs.py by @amorehead in #76
  • Upload all SMILES strings contained in the PDB's Chemical Component Dictionary (CCD) by @amorehead in #75
  • Add compact_atom mappings for each molecule type, and add OneDrive PDB dataset download link by @amorehead in #77
  • Ensure all residue constants and atom mappings match ligand residue templates in the PDB by @amorehead in #78
  • Upload all 28 template residue mmCIF files from the PDB, and parse them into Chem.Mols by @amorehead in #79
  • Add standardized (template) SMILES strings for each residue by @amorehead in #80

Full Changelog: 0.1.116...0.1.117

Contributors

amorehead
Assets 2
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