Training AIMNet2 on new data

isayevlab / AIMNet2

MIT License

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Training AIMNet2 on new data #34

Closed JSLJ23 closed 3 months ago

JSLJ23 commented 3 months ago

Hi AIMNet2 authors,

May I know if there's code available for the AIMNet2 model definition and for training the model from scratch on different ab-initio data?

Thank you.

zubatyuk commented 3 months ago

Check this out: zubatyuk/aimnet2 The documentation is sparse at the moment: readme.md. But the code should work. Please try this out and ask if you have any problems.