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PyTorch version docs
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README.md

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@@ -26,6 +26,7 @@ conda install pytorch=1.11 faiss-cpu -c pytorch
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conda install pytorch-scatter pyg -c pyg
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conda install kimlab::stride
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```
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Note that installing on PyTorch versions from 2.6 may require setting `TORCH_FORCE_NO_WEIGHTS_ONLY_LOAD=1`.
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3. Run `pip install progres`, which will also install [Biopython](https://biopython.org), [mmtf-python](https://github.com/rcsb/mmtf-python), [einops](https://github.com/arogozhnikov/einops) and [pydantic](https://github.com/pydantic/pydantic) if they are not already present.
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4. The first time you search with the software the trained model and pre-embedded databases (~850 MB) will be downloaded to the package directory from [Zenodo](https://zenodo.org/record/7782088), which requires an internet connection. This can take a few minutes. You can set the environmental variable `PROGRES_DATA_DIR` to change where this data is stored, for example if you cannot write to the package directory. Remember to keep it set the next time you run Progres.
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5. The first time you search against the AlphaFold database TED domains the pre-embedded database (~33 GB) will be downloaded similarly. This can take a while. Make sure you have enough disk space!

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