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CPU Upgrade
| # deep learning | |
| # Install with conda | |
| torch >= 2.2 | |
| torch_geometric | |
| lightning >= 2.2 | |
| torchmetrics | |
| transformers | |
| scikit-learn | |
| dgl | |
| dglgo | |
| dgllife | |
| # configuration and utilities | |
| hydra-core | |
| pandas | |
| swifter | |
| tensorboard | |
| biopython | |
| # model-specific requirements | |
| subword-nmt # MolTrans | |
| tape_proteins # TransformerCPI2 | |
| gensim | |
| fair-esm # CoaDTI-pro | |
| # apex # recommended by TAPE-BERT | |
| # feature extraction | |
| rdkit | |
| mordred | |
| networkx | |
| mhfp | |
| panel | |
| bokeh | |
| plotly | |
| seaborn | |
| # tmap |