Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
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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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14 optional dependencies
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chgnet[chgnet]extra == "chgnet"
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fairchem-core[fairchem]extra == "fairchem"
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mace-torch[mace]extra == "mace"
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nvidia-cuda-nvrtc-cu12>=12.9[mace]extra == "mace"
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nvidia-cuda-nvrtc-cu12>=12.9[fairchem]extra == "fairchem"
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nvidia-cuda-nvrtc-cu12>=12.9[chgnet]extra == "chgnet"
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pytest>=8[dev]extra == "dev"
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pytest-cov[dev]extra == "dev"
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ruff[dev]extra == "dev"
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snakemake>=8[orchestration]python_version >= "3.11" and extra == "orchestration"
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tensorpotential[grace]python_version >= "3.11" and extra == "grace"
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torch[chgnet]extra == "chgnet"
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torch[fairchem]extra == "fairchem"
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torch[mace]extra == "mace"