Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
No reported malware or high/critical advisories · Details
The current version has no OSV.dev malware reports and no critical or high-severity vulnerabilities.
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Dependencies
- dimorphite-dl
- gemmi
- ipython
- matplotlib
- meeko
- networkx
- numpy
- pandas
- papyrus-structure-pipeline
- pebble
- pyyaml
- qsprpred
- rdkit
- scipy
- tqdm
20 optional dependencies
-
docker[pymol]extra == "pymol"
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isort[dev]extra == "dev"
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joblib[gnn]extra == "gnn"
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meeko[pymol]extra == "pymol"
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openbabel-wheel[pymol]extra == "pymol"
-
pillow[pymol]extra == "pymol"
-
plip[pymol]extra == "pymol"
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pre-commit[dev]extra == "dev"
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pyarrow[gnn]extra == "gnn"
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pypdb[pymol]extra == "pymol"
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pyqtgraph[pymol]extra == "pymol"
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pytest[dev]extra == "dev"
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ruff[dev]extra == "dev"
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scikit-learn[gnn]extra == "gnn"
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tensorboard[gnn]extra == "gnn"
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torch[gnn]extra == "gnn"
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torch-geometric[gnn]extra == "gnn"
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vina[vina]extra == "vina"
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wandb[gnn]extra == "gnn"
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yapf[dev]extra == "dev"