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Dependencies
- ase >=3.24.0
- dvc-s3 >=3.2.0
- lazy-loader >=0.4
- mp-api >=0.45.3
- mpcontribs-client >=5.10.2
- plotly >=6.0.0
- pydantic >=2.10.6
- rdkit2ase >=0.1.4
- typer >=0.15.1
- zndraw >=0.5.10
- znh5md >=0.4.4
- zntrack >=0.8.5
10 optional dependencies
- chgnet[chgnet]
- fairchem-core[fairchem]
- mace-torch[mace]
- matgl[matpes]
- matpes[matpes]
- mattersim[mattersim]
- orb-models[orb]
- pet-mad[pet-mad]
- sevenn[sevenn]
- tensorpotential[grace]