This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • chemiscopify.ipynb: Notebook to generate Chemiscope files
  • lit_xyz.tar.gz: xyz literature ligand structures
  • csd_xyz.tar.gz: xyz CSD ligand structures
  • mc_lit.csv: literature ligand features
  • mc_csd.csv: CSD ligand features
  • lit_ligs-chemiscope.json.gz: literature ligand chemiscope JSON
  • csd_ligs-chemiscope.json.gz: CSD ligand chemiscope JSON
  • README.md: Read me