Open MatSci ML Toolkit is a framework for prototyping and scaling out deep learning models for materials discovery supporting widely used materials science datasets, and built on top of PyTorch Lightning, the Deep Graph Library, and PyTorch Geometric.
Recent changes from #254 and #256 warrant updating some pytests.
adaptive_true
to aPeriodicPropertiesTransform
used in one test.force
task_key inside one test that usesForceRegressionTask
.