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Dependencies
- numpy >=2.2.6
- typing-extensions >=4.7
38 optional dependencies
- biopython[sequence]
- biopython[structure]
- biopython[all]
- biopython[io]
- biotite[structure]
- biotite[io]
- biotite[all]
- build[dev]
- hypothesis[dev]
- ipykernel[dev]
- mdtraj[md]
- mdtraj[all]
- mkdocs[docs]
- mkdocs-jupyter[docs]
- mkdocs-material[docs]
- mkdocstrings[docs]
- mypy[dev]
- nbclient[dev]
- openmm[prep]
- openmm[all]
- openmm[md]
- pdbfixer[all]
- pdbfixer[prep]
- pre-commit[dev]
- pytest[dev]
- pytest-benchmark[dev]
- pytest-cov[dev]
- pytest-xdist[dev]
- rdkit[all]
- rdkit[docking]
- ruff[dev]
- scipy[structure]
- scipy[all]
- torch[all]
- torch[ml]
- transformers[all]
- transformers[ml]
- twine[dev]