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popelier-group / ichor

Computational Chemistry Data Management Library for Machine Learning Force Field Development
https://ichor.readthedocs.io/
MIT License
16 stars 10 forks source link

Make option to remake all models #22

Closed MattBurn closed 1 year ago

MattBurn commented 4 years ago

This allows for the creation of models with new settings without having to perform an entire adaptive sampling run