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df36b14 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 | PyYaml scipy ml_collections tqdm pandas optree rdkit biopython==1.83 modelcif==0.7 biotite==1.0.1 scikit-learn scikit-learn-extra deepspeed>=0.15.1 protobuf==3.20.2 icecream ipdb wandb numpy==1.26.3 matplotlib==3.9.2 ipywidgets py3Dmol nvidia-cublas-cu12 torch==2.3.1 fair-esm posix_ipc einops transformers==4.51.3 optax==0.2.5 dm-haiku==0.0.13 natsort dm-tree protenix>=0.1.0 pxdbench>=0.1.0 |