Add MatterSim, Allegro and OCP models (fairchem-core) to ase_calculators
#1079
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…ertype defines the argument type as "bool | list[str]"
janosh
added
enhancement
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MatterSim does very well on the new thermal conductivity modeling task ($\kappa_{\rm{SRME}} = 0.554$ , see MPA2suite/k_SRME#12, thanks @AntObi), almost as good as the current SOTA GRACE ($\kappa_{\rm{SRME}} = 0.525$ , see https://matbench-discovery.materialsproject.org).
the small (1M) model interestingly does better than the large (5M) one, which is a good sign that$\kappa_\rm{SRME}$ could prove more robust to overfitting
either way, MatterSim seems like a useful addition to the set of supported ASE calculators in
atomate2, hence this PR.adding
AllegroandOCPCalculatoras well since I've been using them with my local fork for a while