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materialsvirtuallab / matgl

Graph deep learning library for materials
BSD 3-Clause "New" or "Revised" License
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TensorNet #229

Closed guillemsimeon closed 4 months ago

guillemsimeon commented 4 months ago

Hi,

thanks for considering TensorNet. I was curious to know if you tried to train the model on materials datasets. Btw, I saw that you are not including our 'expnorm' radial basis functions, and TensorNet's performance has not been tested with gaussian or bessel bases.

Thank you, Guillem

kenko911 commented 4 months ago

Hi @guillemsimeon, thank you very much for your questions, I did some preliminary trainings for some periodic systems and they work quite well. We will provide some pre-trained models of TensorNet and SO3Net PESs ASAP.