choderalab / modelforge

Infrastructure to implement and train NNPs
https://modelforge.readthedocs.io/en/latest/
MIT License
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Move control parameters of training to yaml files #132

Closed wiederm closed 3 weeks ago

wiederm commented 1 month ago

As discussed with @chrisiacovella we want to move the training script in a module and the control parameters in yaml files, so that each training run is uniquely defined by the yaml file.