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openmm / openmm-cookbook

The OpenMM Cookbook and Tutorials
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Adding ML examples #23

Open sef43 opened 1 year ago

sef43 commented 1 year ago

We should add cookboook examples that use OpenMM-ML, OpenMM-torch, and NNPOps.

A potential problem with this is that adding PyTorch to the conda environment will make the Colab setup very slow and very brittle.

peastman commented 1 year ago

A potential problem with this is that adding PyTorch to the conda environment will make the Colab setup very slow and very brittle.

That sounds like an argument against creating cookbook entries. I think they're better suited to a tutorial anyway.