| name: td3b | |
| channels: | |
| - pytorch | |
| - nvidia | |
| - conda-forge | |
| dependencies: | |
| - python=3.10 | |
| - pip | |
| - pytorch | |
| - torchvision | |
| - pytorch-cuda=12.1 | |
| - rdkit | |
| - numpy | |
| - pandas | |
| - scikit-learn | |
| - jupyterlab | |
| - matplotlib-base | |
| - seaborn | |
| - tqdm | |
| - pyyaml | |
| - pip: | |
| - pytorch-lightning==2.5.5 | |
| - lightning==2.5.5 | |
| - fair-esm==2.0.0 | |
| - transformers==4.56.2 | |
| - SmilesPE==0.0.3 | |
| - scipy==1.13.1 | |
| - wandb==0.22.0 | |
| - hydra-core==1.3.2 | |
| - hydra-submitit-launcher==1.2.0 | |
| - pathos==0.3.4 | |
| - matplotlib==3.10.1 | |
| - pandas==2.2.2 | |
| - seaborn==0.13.2 | |
| - timm==1.0.20 | |
| - xgboost==3.0.5 | |
| - loguru==0.7.3 |