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choderalab / modelforge

Infrastructure to implement and train NNPs
https://modelforge.readthedocs.io/en/latest/
MIT License
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Training script accepts multiple config files #157

Closed wiederm closed 2 weeks ago

wiederm commented 2 weeks ago

Description

For training, we often want to modify either the dataset or the potential, and keep the training config fixed. To avoid having multiple config files with the exact same entries for dataset/potential and training, this PR allows us to use separate config files for potential/dataset/training.

Status