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mir-group / nequip

NequIP is a code for building E(3)-equivariant interatomic potentials
https://www.nature.com/articles/s41467-022-29939-5
MIT License
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❓ [QUESTION] How to use hdf5 dataset in config files? #422

Open OlfwayAdbayIgbay opened 5 months ago

OlfwayAdbayIgbay commented 5 months ago

When using a config file for nequip-train, it only accepts ase or npz. However the HDF5Dataset exists - can we use it via this interface somehow?