| # CombFold / ColabFold extra dependencies for OneScience bio-dcu environment. | |
| # Install with: python -m pip install --no-deps -r requirements.txt | |
| # ----------------------------------------------------------------------------- | |
| # Provided by onescience[bio-dcu]; retained here for a complete dependency list. | |
| # Do not install these again in the OneScience base environment. | |
| # ----------------------------------------------------------------------------- | |
| # numpy==1.26.3 | |
| # scipy==1.14.1 | |
| # biopython==1.84 | |
| # pandas>=2.2.2 | |
| # matplotlib | |
| # requests | |
| # tqdm>=4.60.0 | |
| # absl-py==2.1.0 | |
| # chex==0.1.90 | |
| # dm-tree==0.1.8 | |
| # ml-collections==0.1.1 | |
| # ml-dtypes==0.4.0 | |
| # dm-haiku==0.0.14 | |
| # py3Dmol==2.5.2 | |
| # tensorflow==2.18.0+das.opt1.dtk25042 | |
| # importlib-metadata | |
| # jax==0.4.34+das.opt1.dtk25042 | |
| # jaxlib==0.4.34+das.opt1.dtk25042 | |
| # jax-rocm60-pjrt==0.4.34+das.opt1.dtk25042 | |
| # jax-rocm60-plugin==0.4.34+das.opt1.dtk25042 | |
| # ----------------------------------------------------------------------------- | |
| # Extra Python components required by the CombFold AlphaFold-Multimer workflow. | |
| # ----------------------------------------------------------------------------- | |
| colabfold==1.5.5 | |
| alphafold-colabfold==2.3.6 | |
| appdirs==1.4.4 | |
| immutabledict==2.2.5 | |