ColabFit

university

https://colabfit.org/

AI & ML interests

Development of data-driven interatomic potentials (DDIP/MLIP)

colabfit 's datasets 506

colabfit/Silica_Allegro_15000K

Viewer • Updated Jun 3 • 5.57k • 20

colabfit/Hydrogen_Fe_Steel

Viewer • Updated Jun 3 • 433 • 34

colabfit/HCB_Montmorillonite_Adsorption

Viewer • Updated Jun 3 • 10.3k • 24 • 1

colabfit/Perovskite_Nanorod_Li_Na_Transport

Viewer • Updated Jun 3 • 127 • 35

colabfit/Halide_Double_Perovskite_Octahedral_Tilting

Viewer • Updated Jun 3 • 2.78k • 34

colabfit/CoPt_Dry_Reforming_Methane

Viewer • Updated Jun 3 • 7.29k • 24

colabfit/CeO2_Surface_Oxygen_Vacancy_MLFF

Viewer • Updated Jun 3 • 3.5k • 26

colabfit/Halide_Perovskite_Ion_Migration_MLFF_positive_iodide_interstitial

Viewer • Updated Jun 3 • 2.18k • 25

colabfit/Halide_Perovskite_Ion_Migration_MLFF_negative_iodide_interstitial

Viewer • Updated Jun 3 • 2.22k • 23 • 1

colabfit/Graphene_Field_Effect_Transistor_Urea_Sensor

Viewer • Updated Jun 3 • 14 • 37

colabfit/Halide_Perovskite_Ion_Migration_MLFF_neutral_iodide_vacancy

Viewer • Updated Jun 3 • 2.72k • 18

colabfit/Halide_Perovskite_Ion_Migration_MLFF_negative_iodide_vacancy

Viewer • Updated Jun 3 • 2.37k • 16

colabfit/Halide_Perovskite_Ion_Migration_MLFF_positive_iodide_vacancy

Viewer • Updated Jun 3 • 1.83k • 14

colabfit/Halide_Perovskite_Ion_Migration_MLFF_phase_transition

Viewer • Updated Jun 3 • 864 • 18

colabfit/Halide_Perovskite_Ion_Migration_MLFF_neutral_iodide_interstitial

Viewer • Updated Jun 3 • 2.01k • 29 • 1

colabfit/AIMNet2

Viewer • Updated May 26 • 3.76M • 33

colabfit/ANI-1xBB

Viewer • Updated May 24 • 26.3M • 59

colabfit/Massive_Atomic_Diversity_MAD-1.5_PBE

Viewer • Updated May 21 • 203k • 14

colabfit/Massive_Atomic_Diversity_MAD-1.5_r2SCAN_Train

Viewer • Updated May 21 • 360k • 18

colabfit/Massive_Atomic_Diversity_MAD-1.5_r2SCAN_Val

Viewer • Updated May 21 • 36.6k • 12

colabfit/Massive_Atomic_Diversity_MAD-1.5_r2SCAN_Test

Viewer • Updated May 21 • 36.6k • 16

colabfit/Open_Catalyst_2025_OC25_Val

Viewer • Updated May 19 • 204k • 78

colabfit/Open_Catalyst_2025_OC25_Train

Viewer • Updated May 19 • 7.4M • 148 • 1

colabfit/Open_Direct_Air_Capture_ODAC2025_Train_Filtered

Viewer • Updated May 15 • 72.7M • 289

colabfit/Open_Direct_Air_Capture_ODAC2025_Train_Full

Viewer • Updated May 14 • 110M • 89 • 1

colabfit/MSR-ACC-TAE25_Train

Viewer • Updated May 12 • 71.9k • 15

colabfit/MSR-ACC-TAE25_Val

Viewer • Updated May 12 • 731 • 12

colabfit/MSR-ACC-TAE25_All

Viewer • Updated May 12 • 73k • 16

colabfit/MatPES-R2SCAN-2025.2

Viewer • Updated Apr 28 • 387k • 89

colabfit/MatPES-PBE-2025.2

Viewer • Updated Apr 28 • 433k • 44