Ideas for other models that could be "Lit"-ed

ncfrey / litmatter

Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.

https://www.nature.com/articles/s42256-023-00740-3

MIT License

67 stars 15 forks source link

Ideas for other models that could be "Lit"-ed #1

Open sgbaird opened 2 years ago

sgbaird commented 2 years ago

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?

ncfrey commented 2 years ago

@sgbaird these would all be awesome additions! I wrote a brief Contribution guide for anyone who wants to "Lit" other models and have them included in the repo.

I'm focusing on generative models and ML interatomic potentials at the moment, but I'm hoping that others will contribute their own models!

sgbaird commented 2 years ago

I will probably give LitCrabNet a go at some point. If I run into trouble, I will open another issue. Thanks!