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choderalab / mtenn

Modular Training and Evaluation of Neural Networks
MIT License
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Add GAT model #22

Closed kaminow closed 1 year ago

kaminow commented 1 year ago

Add a GAT model, as well as a LigandOnlyModel subclass of mtenn.Model. Resolves #21.

kaminow commented 1 year ago

@hmacdope would love if you could take a quick look at this! also, since asapdiscovery-ml will rely on this new code, I think it makes sense to have a new versioned release, but lmk what you think

codecov-commenter commented 1 year ago

Codecov Report

Merging #22 (d5adef2) into main (c9dc6e4) will increase coverage by 0.38%. The diff coverage is 32.75%.

kaminow commented 1 year ago

@hmacdope done! I went ahead and added the 0.2.0 release as well, so we should be good to move forward on choderalab/asapdiscovery#232 and choderalab/asapdiscovery#231