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issue in the diffdock environment created from .yaml #201
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I have encountered this problem too |
Hello I tried to set up the new vversion DiffDock L. Same, with yml many libraries were missing . Mainly in my case all the torch, pytoch etc... Some issue also with openfold (the old C++17 problem). My Linux station is Cuda 12.0 which does not help :) . I am now working around the torch compatibilities |
I solved the issue by manually installing the commands in the file .yml.
Hope this helps!
Soodabeh
…On Mon, Mar 18, 2024 at 12:46 PM Alain-chavanieu ***@***.***> wrote:
Hello I tried to set up the new vversion DiffDock L. Same, with yml many
libraries were missing . Mainly in my case all the torch, pytoch etc...
Some issue also with openfold (the old C++17 problem). My Linux station is
Cuda 12.0 which does not help :) . I am now working around the torch
compatibilities
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I've solved the problem; just follow this directly.#180 (comment) |
To stan1233 TY. It s working. Had to struggle with openfold compilation but now ok |
Hello,
I followed the commands on the Github and created the diffdock environment from environment.yml. However, when I run the code such inference.py, it says there is "torch_cluster". I believe there is some missing libraries in the .yml file. Can you help me with that?
Thank you
Best Regards
Soodabeh
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