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colabfit/a-AlOx_JCP_2020

Viewer • Updated Nov 18, 2025 • 247k • 1

colabfit/Ferrimagnetism_induced_by_thermal_vibrations_in_oxygen-deficient_manganite_heterostructures

Updated Nov 18, 2025 • 1

colabfit/OC22-IS2RE-Train

Viewer • Updated Nov 18, 2025 • 7.24M • 742

colabfit/OC22-S2EF-Train

Viewer • Updated Nov 18, 2025 • 7.69M • 8

colabfit/OC20_S2EF_train_20M

Viewer • Updated Oct 17, 2025 • 18M • 1

colabfit/OMol25_train_neutral

Viewer • Updated Oct 17, 2025 • 34.3M • 1

colabfit/ANI-2x-wB97X-def2TZVPP

Viewer • Updated Oct 17, 2025 • 16.2M • 3

colabfit/OrbNet_Denali

Viewer • Updated Nov 18, 2025 • 2M • 3

colabfit/OMat24_train_rattled_1000_subsampled

Viewer • Updated Oct 17, 2025 • 2.59M • 1

colabfit/OC20_S2EF_val_ood_both

Viewer • Updated Oct 17, 2025 • 1,000k • 2

colabfit/OMat24_train_rattled_relax

Viewer • Updated Oct 17, 2025 • 9.17M • 29

colabfit/Open_Molecular_Crystals_2025_OMC25_validation

Viewer • Updated Oct 17, 2025 • 1,000k • 1

colabfit/solvated_protein_fragments_JCTC_2019

Viewer • Updated Nov 18, 2025 • 2M • 1

colabfit/ANI-2x-B973c-def2mTZVP

Viewer • Updated Nov 18, 2025 • 18.7M • 5

colabfit/sAlex_train

Viewer • Updated Oct 17, 2025 • 10.1M

colabfit/Materials_Project

Viewer • Updated Oct 17, 2025 • 6.34M • 51

colabfit/ANI-2x-wB97X-631Gd

Viewer • Updated Nov 18, 2025 • 18.8M • 1

colabfit/ANI-2x-wB97MV-def2TZVPP

Viewer • Updated Nov 18, 2025 • 18.8M • 7

colabfit/OC20_S2EF_val_ood_ads

Viewer • Updated Oct 17, 2025 • 800k • 2

colabfit/OMat24_train_rattled_1000

Viewer • Updated Oct 17, 2025 • 9.06M • 36

colabfit/ANI-1

Viewer • Updated Nov 18, 2025 • 32.1M • 10

colabfit/OMat24_train_rattled_300_subsampled

Viewer • Updated Oct 17, 2025 • 2.31M • 3

colabfit/OMat24_train_rattled_500

Viewer • Updated Oct 17, 2025 • 4.62M • 13

colabfit/ANI-2x-wB97MD3BJ-def2TZVPP

Viewer • Updated Nov 18, 2025 • 18.8M • 1

colabfit/OMat24_train_rattled_500_subsampled

Viewer • Updated Oct 17, 2025 • 3.18M • 2

colabfit/OMol25_validation

Viewer • Updated Oct 17, 2025 • 1.84M • 2

colabfit/OMat24_train_aimd_from_PBE_1000_nvt

Viewer • Updated Oct 17, 2025 • 18M • 51

colabfit/Alexandria_geometry_optimization_paths_PBE_3D

Viewer • Updated Oct 17, 2025 • 99.9M • 122

colabfit/OMat24_train_aimd_from_PBE_1000_npt

Viewer • Updated Oct 17, 2025 • 18.8M • 58

colabfit/OMat24_train_aimd_from_PBE_3000_npt

Viewer • Updated Oct 17, 2025 • 5.75M • 51