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Include more scientifically relevant PET models - #230
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Hi and thanks for the nice library. This PR adds some PET models that are probably more useful than the original two that were previously available through this interface.
The added PET models belong to two classes. PET-MAD models are pre-trained on the OMat dataset and fine-tuned on MAD-1.6, an all-electron r2SCAN dataset containing various chemistries: bulk solids (including random and rattled structures), surfaces, clusters, molecular crystals, molecular fragments and catalytic systems. PET-OMol models are trained on the OMol-1 dataset, an ωB97M-V dataset containing a very large variety of molecular and polymer systems.
I would expect these two classes of models to be much more useful than models trained on MPtrj+sAlex or MATPES