Datasets:
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84a242a | 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 35 36 37 38 | # Core ML numpy==1.26.4 pandas==2.2.3 scipy==1.15.1 scikit-learn==1.6.1 # Graph libraries torch-geometric==2.6.1 dgl==2.1.0 # Chemistry rdkit==2024.9.4 biopython==1.85 # Sequence / embedding utils esm>=1.0.5 # Logging / utils tqdm==4.67.1 pyyaml==6.0.2 matplotlib==3.10.0 seaborn==0.13.2 # Additional libraries used in code einops==0.8.0 tensorboard pytorch-lightning>=2.2 statsmodels>=0.14 tabulate==0.9.0 pathlib2 # Optional (remove if unused) graphein==1.7.7 pyaaisc==1.2 # PyTorch must be installed manually # pip install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu124 |