Merging Two Trained Models

[lejlasb]

Dear Community,

I have used Nequip to train two models on two separate systems. Is there a way to merge these two trained models into one new model without having to train it from scratch? Or, is there a way to use these two trained models together for one MD simulation?

I appreciate any insight and help.

Thank you!

[cw-tan]

Hi @lejlasb ,

Thank you for your interest in the NequIP codebase! If the set of chemical species in the two systems are the same, you could potentially fine-tune one of the models on the combined dataset of both systems. Otherwise, you probably just have to train a new model.