ZIP archive · 24 entries
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Archive files
- add_preparative.py11.3 KiB
- additional-ligands-root.json5.6 KiB
- additional-ligands-scope-builder.py4.7 KiB
- additional-ligands-scope.json3.4 KiB
- audit_dataset.py6.9 KiB
- audit_sources.py4.2 KiB
- build.py19.1 KiB
- dataset-audit.txt1.2 KiB
- derive_additional_ligands.py2.2 KiB
- ligand-overrides.json407 bytes
- ligand-structure-audit.json14.1 KiB
- ligands-121.json16.6 KiB
- package.py1.5 KiB
- reaction-index.csv102.2 KiB
- README.md10.5 KiB
- representative.pbtxt12.4 KiB
- review-resolution.md1.7 KiB
- scope_structures.py3.4 KiB
- scope-prep-builder.py20.8 KiB
- scope-prep.json80.5 KiB
- scope-structures.json1014 bytes
- source-audit.txt803 bytes
- table-s1.json22.4 KiB
- validation.txt242 bytes