| 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 | |