OCP finetune - Githubissues

ulissigroup / finetuna

Active Learning for Machine Learning Potentials

MIT License

45 stars 11 forks source link

Closed jmusiel closed 2 years ago

jmusiel commented 2 years ago

added finetuner calc as a base ml potential for finetuning ocp models

also added an ensemble and stochastic spinconv child variant of the finetuner calc

fixed many bugs with the initial implementation, should be stable and functional enough to merge into master now