Updating dependencies #173
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Working now. Updating torch-lightning requires changing stuff I do not understand ( #168 ), however the current version seems to play along with torch 2, so I say if it aint broke do not fix it. This is ready to merge on my part. I will anyhow work on lightning and will PR again if I get around it. |
stefdoerr
approved these changes
May 22, 2023
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This PR is an effort to take torchmd-net dependencies to the latest possible versions.
Mainly taking torch to 2.0.
After pressing the conda-forge guys to update some of the dependencies to torch 2 the env file I updated installs on my machine and all test pass. Lets see how the CI likes it :P