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Dependencies
- dill >=0.3.6
- einops >=0.4.1
- h5py >=3.7.0
- lark >=1.1.4
- lightning <2.1,>=2.0
- lxml >=4.9.1
- numba >=0.48.0
- numpy <2.0
- pillow >=9.4.0
- pyteomics >=4.6
- pytorch-lightning <2.0,>=1.9
- rdkit >=2023.03.1
- selfies >=2.1.1
- sortedcontainers >=2.4.0
- spectrum-utils >=0.4.1
- sqlalchemy >=2.0
- tensorboard
- torch <2.1,>=2.0
- tqdm >=4.65.0