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
- ipywidgets >=8.1.7
- matplotlib
- meeko >=0.6.1
- openbabel-wheel ==3.1.1.21
- pandas
- prolif >=2.0.3
- py3dmol >=2.5.2
- pymol-open-source ==3.2.0a0
- rdkit >=2025.3.5
- tqdm
- vina >=1.2.5
12 optional dependencies
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black>=24[test]extra == "test"
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flake8>=7[test]extra == "test"
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joblib[reranking]extra == "reranking"
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numpy[reranking]extra == "reranking"
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optuna>=4[reranking]extra == "reranking"
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pydata-sphinx-theme>=0.15[docs]extra == "docs"
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pytest>=8[test]extra == "test"
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scikit-learn[reranking]extra == "reranking"
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scipy[reranking]extra == "reranking"
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seaborn[reranking]extra == "reranking"
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sphinx<10,>=7.4[docs]extra == "docs"
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sphinxcontrib-bibtex>=2.6[docs]extra == "docs"