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
- mc_preds_oa.csv: OA dataset predictions
- mc_preds_cp.csv: CP dataset predictions
- mc_preds_cc.csv: CC dataset predictions
- mc_preds_da_f.csv: DA dataset predictions
- lit_ligs-chemiscope.json.gz: literature ligand chemiscope JSON
- csd_ligs-chemiscope.json.gz: CSD ligand chemiscope JSON
- oa_preds-chemiscope.json.gz: OA dataset chemiscope JSON
- cp_preds-chemiscope.json.gz: CP dataset chemiscope JSON
- cc_preds-chemiscope.json.gz: CC dataset chemiscope JSON
- da_f_preds-chemiscope.json.gz: DA dataset chemiscope JSON
- README.md: Read me