Edit Datasets filters

interatomic potential

Datasets

460

Full-text search

Active filters: interatomic potential

colabfit/Finding_new_crystal_compounds_using_chemical_similarity

Viewer • Updated Oct 17 • 219k • 11

colabfit/a-AlOx_JCP_2020

Viewer • Updated Nov 18 • 247k • 7

colabfit/Ferrimagnetism_induced_by_thermal_vibrations_in_oxygen-deficient_manganite_heterostructures

Updated Nov 18 • 5

colabfit/OC22-IS2RE-Train

Viewer • Updated Nov 18 • 7.24M • 72

colabfit/OC22-S2EF-Train

Viewer • Updated Nov 18 • 7.69M • 43

colabfit/OC20_S2EF_train_20M

Viewer • Updated Oct 17 • 18M • 72

colabfit/OMol25_train_neutral

Viewer • Updated Oct 17 • 34.3M • 73

colabfit/ANI-2x-wB97X-def2TZVPP

Viewer • Updated Oct 17 • 16.2M • 21

colabfit/OrbNet_Denali

Viewer • Updated Nov 18 • 2M • 3

colabfit/OMat24_train_rattled_1000_subsampled

Viewer • Updated Oct 17 • 2.59M • 2

colabfit/OC20_S2EF_val_ood_both

Viewer • Updated Oct 17 • 1,000k • 3

colabfit/OMat24_train_rattled_relax

Viewer • Updated Oct 17 • 9.17M • 81

colabfit/Open_Molecular_Crystals_2025_OMC25_validation

Viewer • Updated Oct 17 • 1,000k • 9

colabfit/solvated_protein_fragments_JCTC_2019

Viewer • Updated Nov 18 • 2M • 17

colabfit/ANI-2x-B973c-def2mTZVP

Viewer • Updated Nov 18 • 18.7M • 81

colabfit/sAlex_train

Viewer • Updated Oct 17 • 10.1M • 92

colabfit/Materials_Project

Viewer • Updated Oct 17 • 6.34M • 69

colabfit/ANI-2x-wB97X-631Gd

Viewer • Updated Nov 18 • 18.8M • 76

colabfit/ANI-2x-wB97MV-def2TZVPP

Viewer • Updated Nov 18 • 18.8M • 111

colabfit/OC20_S2EF_val_ood_ads

Viewer • Updated Oct 17 • 800k • 10

colabfit/OMat24_train_rattled_1000

Viewer • Updated Oct 17 • 9.06M • 111

colabfit/ANI-1

Viewer • Updated Nov 18 • 32.1M • 87

colabfit/OMat24_train_rattled_300_subsampled

Viewer • Updated Oct 17 • 2.31M • 12

colabfit/OMat24_train_rattled_500

Viewer • Updated Oct 17 • 4.62M • 19

colabfit/ANI-2x-wB97MD3BJ-def2TZVPP

Viewer • Updated Nov 18 • 18.8M • 101

colabfit/OMat24_train_rattled_500_subsampled

Viewer • Updated Oct 17 • 3.18M • 15

colabfit/OMol25_validation

Viewer • Updated Oct 17 • 1.84M • 12

colabfit/OMat24_train_aimd_from_PBE_1000_nvt

Viewer • Updated Oct 17 • 18M • 109

colabfit/Alexandria_geometry_optimization_paths_PBE_3D

Viewer • Updated Oct 17 • 99.9M • 787

colabfit/OMat24_train_aimd_from_PBE_1000_npt

Viewer • Updated Oct 17 • 18.8M • 118