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Dependencies
- ase ==3.27.0
- fairchem-core <2.10,>=2.7
- hf-xet
- morfeus-ml >=0.7
- rdkit >=2022.9.5
- scipy <1.15.0
- tables >=3.10.2
- torch-sim-atomistic ==0.5.1
9 optional dependencies
- build[dev]
- mkdocs[dev]
- mkdocs-material[dev]
- mkdocstrings[dev]
- pip-tools[dev]
- pytest[dev]
- pyyaml[yaml]
- ruff[dev]
- twine[dev]