nequip.dataΒΆ Data Fields _GRAPH_FIELDS _NODE_FIELDS _EDGE_FIELDS _LONG_FIELDS _CARTESIAN_TENSOR_FIELDS nequip.data.datamodule NequIPDataModule ASEDataModule sGDML_CCSD_DataModule rMD17DataModule MD22DataModule NequIP3BPADataModule COLLDataModule TM23DataModule SAMD23DataModule WaterDataModule nequip.data.dataset AtomicDataset NequIPLMDBDataset ASEDataset HDF5Dataset NPZDataset EMTTestDataset SubsetByRandomSlice RandomSplitAndIndexDataset() nequip.data.transforms ChemicalSpeciesToAtomTypeMapper NeighborListTransform VirialToStressTransform StressSignFlipTransform AddNaNStressTransform Data Modifiers PerAtomModifier EdgeLengths NumNeighbors Dataset Statistics CommonDataStatisticsManager() EnergyOnlyDataStatisticsManager() DataStatisticsManager Mean MeanAbsolute RootMeanSquare StandardDeviation Min Max Count