feature: custom loss function and DOS predict model#6
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saraheisenach merged 2 commits intomainfrom Nov 14, 2022
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Tested on NERSC on STO_DOS and MP_data_npj datasets; able to generate data.pt files and start training.
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This PR includes the ability to pass a custom loss function to the trainer class. It also adds the
DOS_predictmodel andDOSLossclasses for use in training DOS models. To train the DOS_predict model, useconfigs/examples/DOS_STO.yml.