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
- acat ==2.0.3
- ase ==3.26.0
- autoadsorbate ==0.2.5
- dask ==2025.3.0
- energydiagram
- juliacall ==0.9.27
- matplotlib
- mp-api >=0.46.2
- networkx ==3.2
- numba
- numpy <=2.3.5
- openpyxl ==3.1.5
- pandas ==2.3.3
- prettytable ==3.9.0
- psutil
- py-cpuinfo
- pydot ==4.0.1
- pymatgen >=2025.4.10
- rdkit ==2025.9.1
- rich
- scikit-learn ==1.5.1
- scipy ==1.15.1
13 optional dependencies
-
codecov[dev]extra == "dev"
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coverage[dev]extra == "dev"
-
fairchem-core==1.10.0[fairchemv1]extra == "fairchemv1"
-
fairchem-core==2.19.0[fairchemv2]extra == "fairchemv2"
-
flake8[dev]extra == "dev"
-
gamenet-uq==0.1.3[gamenetuq]extra == "gamenetuq"
-
mace-torch==0.3.12[mace]extra == "mace"
-
orb-models==0.7.0[orb]extra == "orb"
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pytest[dev]extra == "dev"
-
pytest-cov[dev]extra == "dev"
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sevenn==0.13.0[sevenn]extra == "sevenn"
-
torch-dftd==0.5.1[mace]extra == "mace"
-
upet==0.2.2[upet]extra == "upet"