Awesome! I see that you already have LitDimeNet (DimeNet), LitSchNet (SchNet), and LitNNConv (PyTorch NNConv). A non-exhaustive list of some others that might be interesting are:
LitCrabNet (CrabNet)
- possibly via my
pip/conda installable refactor
LitCGCNN (CGCNN)
LitGATGNN (GATGNN)
LitBOWSR (BOWSR)
- This uses CGCNN, not sure if it uses
torch aside from CGCNN
LitALIGNN (ALIGNN)
@ncfrey are there any others you think would be applicable?
Awesome! I see that you already have
LitDimeNet(DimeNet),LitSchNet(SchNet), andLitNNConv(PyTorch NNConv). A non-exhaustive list of some others that might be interesting are:LitCrabNet(CrabNet)pip/condainstallable refactorLitCGCNN(CGCNN)LitGATGNN(GATGNN)LitBOWSR(BOWSR)torchaside from CGCNNLitALIGNN(ALIGNN)@ncfrey are there any others you think would be applicable?