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Dependencies
- codecarbon <4.0.0,>=3.0.0
- datasets <5.0.0,>=3.6.0
- einops ==0.8.1
- hydra-core >=1.3.2
- numpy >=2.0.0
- optuna >=4.2.0
- pandas >=2.0.0
- pyarrow ==21.0.0
- rdkit ==2025.3.6
- scikit-learn <2.0.0,>=1.6.1
- sentence-transformers <6.0.0,>=5.1.0
- torch <=2.9.0,>=2.6.0
- torch-optimi >=0.3.2
- transformers <5.0.0,>=4.56.1
- wandb >=0.19.4
17 optional dependencies
- beautifulsoup4[data]
- build[dev]
- datasets[train]
- ipykernel[dev]
- ipywidgets[dev]
- ninja[dev]
- opencv-python[data]
- pandarallel[data]
- pgvector[benchmark]
- psycopg2-binary[benchmark]
- pytest[dev]
- pytest-cov[dev]
- pytest-env[dev]
- pytest-xdist[dev]
- ruff[dev]
- safe-mol[data]
- sqlalchemy[benchmark]