| # Install the OneScience bio environment first with: | |
| # bash /path/to/onescience/install.sh bio | |
| # | |
| # OneScience provides the DTK-compatible PyTorch, JAX/JAXlib ROCm plugin, | |
| # TensorFlow, NumPy, SciPy, Biopython, dm-haiku, dm-tree, ml-collections, | |
| # ml-dtypes and absl-py packages. Do not reinstall or downgrade them here. | |
| # Original standalone compatibility pins, retained for reference only. | |
| # In the OneScience bio environment these are supplied by platform-adapted | |
| # packages (for example, DTK JAX/JAXlib 0.4.34), so they must stay commented: | |
| # numpy==1.26.4 | |
| # scipy==1.11.4 | |
| # biopython==1.81 | |
| # jax==0.4.20 | |
| # jaxlib==0.4.20 | |
| # ml-dtypes==0.2.0 | |
| # dm-haiku==0.0.11 | |
| # dm-tree==0.1.8 | |
| # ml-collections==0.1.1 | |
| # tensorflow-cpu==2.15.0 | |
| # absl-py | |
| # Additional dependencies required by dl_binder_design: | |
| mock | |
| immutabledict==2.2.5 | |
| # PyRosetta is licensed for academic/non-commercial use under its own terms. | |
| --find-links https://west.rosettacommons.org/pyrosetta/quarterly/release | |
| pyrosetta | |