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OMAT24 / references /README.md
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OMat24 references and corrections

  • OMat24Compatibility.yaml contains MaterialsProject2020 style corrections, that can be used to compute formation energies mixing GGA/GGA+U based predictions.
  • omat-elemental-reference-compounds.json.gz Contains OMat24 DFT relaxations results for the lowest energy unaries in the Materials Project. These can be used to compute formation energies for OMat24 DFT calculations or OMat24 trained models.
  • element-references.yaml contains elemental references used as normalization when training models.