Every model published in lab-cosmo/upet (the PET-MAD / UPET family), converted for pet-kokkos, a C++/Kokkos implementation of PET that runs without libtorch on CPUs and on NVIDIA and AMD GPUs. The weights are unchanged from upstream. Each model is two files:.json holds the hyperparameters, species map and composition energies, and.safetensors holds the weights. They were produced with tools/convertpet.py, and each JSON's sourcemodel names the checkpoint it came from. pet-kokkos looks for models by name in $PETMODELDIR,./models,., and ~/.local/share/pet/models. For what each model was trained on and the level of theory behind it, see the upstream model card. Please cite the upstream work…
Independent publisher
Peter Spackman
peterspackman
Chemistry, Crystals
Models in Library1
Datasets in Library0
Models on Hugging Face2
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