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Dependencies
- click >=8.3.1
- httpx ==0.28.1
- ipykernel >=7.2.0
- matplotlib >=3.10.8
- onnx >=1.20.1
- pandas >=3.0.0
- py3dmol >=2.5.4
- pyarrow ==23.0.0
- pydantic >=2.12.5
- pydantic-settings >=2.12.0
- rdkit ==2025.9.4
- requests >=2.32.5
- scikit-learn >=1.8.0
- strenum >=0.4.15
- tqdm >=4.67.3
- types-requests ==2.32.4.20260107
7 optional dependencies
- mypy[dev]
- pandas-stubs[dev]
- pre-commit[dev]
- pylint[dev]
- pytest[dev]
- ruff[dev]
- types-tqdm[dev]