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isayevlab / pKa-ANI

Accurate prediction of protein pKa with representation learning
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conda pytorch command not working #3

Closed nwmoriarty closed 2 years ago

nwmoriarty commented 2 years ago

Following the instructions but got this...

~> conda install -c conda-forge torchani=2.2.0 cudatoolkit=11.2 Collecting package metadata (current_repodata.json): done Solving environment: failed with initial frozen solve. Retrying with flexible solve. Collecting package metadata (repodata.json): done Solving environment: failed with initial frozen solve. Retrying with flexible solve.

PackagesNotFoundError: The following packages are not available from current channels:

Current channels:

To search for alternate channels that may provide the conda package you're looking for, navigate to

https://anaconda.org

and use the search bar at the top of the page.

isayev commented 2 years ago

Nigel: I think pytorch just dropped CUDA toolkit 11.2 from their support. You could probably use 11.3 instead. Alternatively, please use any other version that is still supported: https://pytorch.org/get-started/locally/.