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
- ase >=3.26.0
- dask
- dask-jobqueue
- datasets
- huggingface-hub >=0.35.0
- loguru
- prefect ==3.6.0
- pymatgen
- safetensors
- tables
- torch
29 optional dependencies
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alignn>=2024.5.27[test]extra == "test"
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chgnet>=0.3.8[test]extra == "test"
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deepmd-kit[deepmd]extra == "deepmd"
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dgl[test]extra == "test"
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e3nn>=0.5.6[test]extra == "test"
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fairchem-core>=2.13.0[fairchem]extra == "fairchem"
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ipykernel[extra]extra == "extra"
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ipywidgets[extra]extra == "extra"
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mace-torch>=0.3.12[mace]extra == "mace"
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matgl>=1.2.6[matgl]extra == "matgl"
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mattersim>=1.1.2[test]extra == "test"
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mdanalysis[extra]extra == "extra"
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mdanalysis[test]extra == "test"
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nequip==0.16.0[test]extra == "test"
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orb-models>=0.4.0[orb]extra == "orb"
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plotly[app]extra == "app"
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pre-commit[dev]extra == "dev"
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pymatgen>=2025.1.9[test]extra == "test"
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pytest[test]extra == "test"
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pytest-xdist[test]extra == "test"
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quests[extra]extra == "extra"
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ruff[dev]extra == "dev"
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sevenn>=0.9.3.post1[test]extra == "test"
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streamlit==1.43.2[test]extra == "test"
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streamlit==1.43.2[app]extra == "app"
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torch==2.6.0[test]extra == "test"
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torch>=2.2.0[deepmd]extra == "deepmd"
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torch-dftd>=0.4.0[test]extra == "test"
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torchani>=2.2.4[test]extra == "test"