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Merge pull request #508 from DeepRank/clarify_PyG_in_README
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Clarify Pytorch Geometric in README installation
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DaniBodor authored Sep 27, 2023
2 parents 3203d7c + fed2b75 commit 2bd8c1e
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Expand Up @@ -61,7 +61,7 @@ Before installing deeprank2 you need to install some dependencies. We advise to
* [Here](https://ssbio.readthedocs.io/en/latest/instructions/msms.html) for MacOS with M1 chip users.
* [PyTorch](https://pytorch.org/get-started/locally/)
* We support torch's CPU library as well as CUDA.
* [PyG](https://pytorch-geometric.readthedocs.io/en/latest/install/installation.html) and its optional dependencies: `torch_scatter`, `torch_sparse`, `torch_cluster`, `torch_spline_conv`.
* [PyTorch Geometric](https://pytorch-geometric.readthedocs.io/en/latest/install/installation.html) and its optional dependencies: `torch_scatter`, `torch_sparse`, `torch_cluster`, `torch_spline_conv`.
* [DSSP 4](https://swift.cmbi.umcn.nl/gv/dssp/)
* Check if `dssp` is installed: `dssp --version`. If this gives an error or shows a version lower than 4:
* on ubuntu 22.04 or newer: `sudo apt-get install dssp`. If the package cannot be located, first run `sudo apt-get update`.
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