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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Dependencies
109 optional dependencies
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black[docs]extra == "docs"
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chgnet[chgnet-nodisp]extra == "chgnet-nodisp"
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chgnet[chgnet]extra == "chgnet"
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coverage-badge[dev]extra == "dev"
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cuequivariance[mace-nodisp]extra == "mace-nodisp"
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cuequivariance[mace]extra == "mace"
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cuequivariance-torch[mace]extra == "mace"
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cuequivariance-torch[mace-nodisp]extra == "mace-nodisp"
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deepmd-kit>=3.2.0b0[deepmd]extra == "deepmd"
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deepmd-kit>=3.2.0b0[deepmd-nodisp]extra == "deepmd-nodisp"
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dftd4[dftd4]extra == "dftd4"
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eqnorm>=0.1.1[eqnorm-nodisp]extra == "eqnorm-nodisp"
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eqnorm>=0.1.1[eqnorm]extra == "eqnorm"
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equflash>=0.0.2[equflash]python_full_version >= "3.12" and sys_platform == "linux" and extra == "equflash"
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equflash>=0.0.2[equflash-nodisp]python_full_version >= "3.12" and sys_platform == "linux" and extra == "equflash-nodisp"
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equiformer-v2[equiformer-v2]extra == "equiformer-v2"
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equiformer-v2[equiformer-v2-nodisp]extra == "equiformer-v2-nodisp"
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equiformer-v3>=0.0.2[equiformer-v3]extra == "equiformer-v3"
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equiformer-v3>=0.0.2[equiformer-v3-nodisp]extra == "equiformer-v3-nodisp"
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fairchem-core<3.0,>=2.3[fairchem]extra == "fairchem"
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fairchem-core<3.0,>=2.3[fairchem-nodisp]extra == "fairchem-nodisp"
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hienet>=1.0.2[hienet]extra == "hienet"
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hienet>=1.0.2[hienet-nodisp]extra == "hienet-nodisp"
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huggingface-hub[equiformer-v3]extra == "equiformer-v3"
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huggingface-hub[equiformer-v3-nodisp]extra == "equiformer-v3-nodisp"
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huggingface-hub[equiformer-v2-nodisp]extra == "equiformer-v2-nodisp"
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huggingface-hub[equiformer-v2]extra == "equiformer-v2"
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huggingface-hub[deepmd-nodisp]extra == "deepmd-nodisp"
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huggingface-hub[deepmd]extra == "deepmd"
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mace-torch[mace]extra == "mace"
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mace-torch[mace-nodisp]extra == "mace-nodisp"
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matgl>=3.0.0[matgl]extra == "matgl"
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matgl>=3.0.0[matgl-nodisp]extra == "matgl-nodisp"
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matris==0.1.0[matris]extra == "matris"
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matris==0.1.0[matris-nodisp]extra == "matris-nodisp"
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mattersim[mattersim-nodisp]extra == "mattersim-nodisp"
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mattersim[mattersim]extra == "mattersim"
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mkdocs-material[docs]extra == "docs"
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mkdocstrings[docs]extra == "docs"
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msc-alphanet>=0.1.3[alphanet]extra == "alphanet"
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msc-alphanet>=0.1.3[alphanet-nodisp]extra == "alphanet-nodisp"
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nequip[nequip]extra == "nequip"
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nequip[nequip-nodisp]extra == "nequip-nodisp"
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nequix[nequix-nodisp]extra == "nequix-nodisp"
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nequix[nequix]extra == "nequix"
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nox[dev]extra == "dev"
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orb-models[orbitals-nodisp]extra == "orbitals-nodisp"
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orb-models[orbitals]extra == "orbitals"
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pre-commit[dev]extra == "dev"
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pytest[dev]extra == "dev"
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pytest-cov[dev]extra == "dev"
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requests[deepmd-nodisp]extra == "deepmd-nodisp"
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requests[alphanet]extra == "alphanet"
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requests[alphanet-nodisp]extra == "alphanet-nodisp"
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requests[deepmd]extra == "deepmd"
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sevenn[7net-nodisp]extra == "7net-nodisp"
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sevenn[7net]extra == "7net"
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tace>=0.2.0[tace-nodisp]extra == "tace-nodisp"
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tace>=0.2.0[tace]extra == "tace"
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tensorpotential[grace]extra == "grace"
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tensorpotential[grace-nodisp]extra == "grace-nodisp"
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torch==2.9.1[eqnorm]extra == "eqnorm"
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torch==2.9.1[eqnorm-nodisp]extra == "eqnorm-nodisp"
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torch==2.9.1[equiformer-v3]extra == "equiformer-v3"
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torch[fairchem]extra == "fairchem"
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torch==2.9.1[grace]extra == "grace"
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torch==2.9.1[hienet]extra == "hienet"
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torch==2.9.1[hienet-nodisp]extra == "hienet-nodisp"
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torch==2.9.1[mace]extra == "mace"
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torch==2.9.1[mace-nodisp]extra == "mace-nodisp"
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torch[matgl]extra == "matgl"
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torch[matris]extra == "matris"
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torch==2.9.1[mattersim]extra == "mattersim"
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torch==2.9.1[mattersim-nodisp]extra == "mattersim-nodisp"
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torch[nequip]extra == "nequip"
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torch==2.9.1[nequix]extra == "nequix"
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torch==2.9.1[nequix-nodisp]extra == "nequix-nodisp"
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torch[orbitals]extra == "orbitals"
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torch[tace]extra == "tace"
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torch[upet]extra == "upet"
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torch[equiformer-v2]extra == "equiformer-v2"
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torch[7net]extra == "7net"
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torch==2.9.1[alphanet]extra == "alphanet"
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torch==2.9.1[alphanet-nodisp]extra == "alphanet-nodisp"
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torch[chgnet]extra == "chgnet"
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torch[deepmd]extra == "deepmd"
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torch-dftd[alphanet]extra == "alphanet"
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torch-dftd[chgnet]extra == "chgnet"
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torch-dftd[deepmd]extra == "deepmd"
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torch-dftd[eqnorm]extra == "eqnorm"
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torch-dftd[equflash]extra == "equflash"
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torch-dftd[equiformer-v2]extra == "equiformer-v2"
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torch-dftd[equiformer-v3]extra == "equiformer-v3"
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torch-dftd[fairchem]extra == "fairchem"
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torch-dftd[grace]extra == "grace"
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torch-dftd[hienet]extra == "hienet"
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torch-dftd[mace]extra == "mace"
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torch-dftd[matgl]extra == "matgl"
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torch-dftd[matris]extra == "matris"
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torch-dftd[mattersim]extra == "mattersim"
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torch-dftd[nequip]extra == "nequip"
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torch-dftd[nequix]extra == "nequix"
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torch-dftd[orbitals]extra == "orbitals"
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torch-dftd[tace]extra == "tace"
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torch-dftd[upet]extra == "upet"
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torch-dftd[7net]extra == "7net"
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upet[upet]extra == "upet"
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upet[upet-nodisp]extra == "upet-nodisp"
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uv[dev]extra == "dev"