Schnet implementation - Githubissues

choderalab / modelforge

Infrastructure to implement and train NNPs

https://modelforge.readthedocs.io/en/latest/

MIT License

9 stars 4 forks source link

Closed wiederm closed 10 months ago

wiederm commented 10 months ago

Implement training routine for a NNP with pytorch-ligning

Notable points that this PR has either accomplished or will accomplish.