Implement ViSNet - Githubissues

choderalab / mtenn

Modular Training and Evaluation of Neural Networks

MIT License

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Implement ViSNet #41

Closed fyng closed 5 months ago

fyng commented 6 months ago

Description

Implement VisNet from pytorch geometric

Fixes #40

TODO

[x] import PyG-nightly from pip
[x] try importing ViSNet, add flag for successful import
[x] implement tests for VisNet

Status

[x] Ready to go

codecov-commenter commented 6 months ago

Codecov Report

Merging #41 (3924d3f) into main (3cae786) will increase coverage by 1.22%. Report is 22 commits behind head on main. The diff coverage is 83.70%.

Additional details and impacted files

hmacdope commented 6 months ago

@fyng ping myself and @kaminow when you want review 😄

fyng commented 6 months ago

@hmacdope @kaminow ready for review!

kaminow commented 5 months ago

@fyng is this ready for another review?