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| absl-py==1.4.0 | |
| numpy==1.26.0 | |
| pandas==2.3.2 | |
| scipy==1.11.1 | |
| matplotlib==3.7.2 | |
| typing-extensions==4.14.1 | |
| tensorflow[and-cuda]==2.20.0 | |
| torch>=2.0.0 | |
| torchvision | |
| torchaudio | |
| # JAX CUDA 12 compatible | |
| -f https://storage.googleapis.com/jax-releases/jax_cuda_releases.html | |
| jax[cuda12_pip]==0.4.13 | |
| chex==0.1.7 | |
| dm-haiku==0.0.9 | |
| dm-tree==0.1.8 | |
| ml-collections==0.1.1 | |
| git+https://github.com/biopython/biopython.git | |
| git+https://github.com/Acellera/moleculekit.git | |
| mdtraj | |
| docker==6.1.3 | |
| immutabledict==3.0.0 | |
| ray==2.6.3 | |
| tqdm | |
| GPUtil | |
| plotly | |
| pydantic==2.11.7 | |
| protobuf>=5.28.0 |