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
- gemmi <0.8.0,>=0.5.0
- matplotlib <3.11.0,>=3.7.0
- ninja >=1.10
- numba <0.67.0,>=0.59.0
- numpy <2.4.0,>=2.0.0
- pandas <2.4.0,>=2.0.0
- pyarrow <26.0.0,>=12.0.0
- reciprocalspaceship <1.1.0,>=0.9.18
- scipy <1.18.0,>=1.10.0
- torch <2.14.0,>=2.4.0
- tqdm <4.69.0,>=4.61.0
17 optional dependencies
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black>=21.5b2[dev]extra == "dev"
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flake8>=3.9.0[dev]extra == "dev"
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ihm>=1.0[ihm]extra == "ihm"
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isort>=5.9.0[dev]extra == "dev"
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jax>=0.4.0[alignment]extra == "alignment"
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numpydoc>=1.1.0[docs]extra == "docs"
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openmm>=8.0.0[amber]extra == "amber"
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pdbfixer[amber]extra == "amber"
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pytest>=6.0.0[dev]extra == "dev"
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pytest-cov>=2.12.0[dev]extra == "dev"
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quaternionic>=1.0.0[alignment]extra == "alignment"
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s2ball>=0.0.2[alignment]extra == "alignment"
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s2fft>=1.0.0[alignment]extra == "alignment"
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spherical>=1.0.0[alignment]extra == "alignment"
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sphinx>=4.0.0[docs]extra == "docs"
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sphinx-rtd-theme>=1.0.0[docs]extra == "docs"
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torchmd-net>=2.0.0[forcefield]extra == "forcefield"