ColabFit

university

https://colabfit.org/

colabfit

AI & ML interests

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

Recent Activity

gpwolfe updated a dataset about 1 month ago

colabfit/Transition1x_train

gpwolfe updated a dataset about 1 month ago

colabfit/JARVIS_CFID_3D_8_18_2022

gpwolfe updated a dataset about 1 month ago

colabfit/Cu_FHI-aims_NPJCM_2021

View all activity

colabfit 's datasets 465

colabfit/TiMoS_alloys_CMS2021

Viewer • Updated Nov 18, 2025 • 523 • 9

colabfit/disordered_transition_metal_oxyfluorides_EA2021

Viewer • Updated Nov 18, 2025 • 234 • 15

colabfit/ComBat

Viewer • Updated Nov 18, 2025 • 231 • 14

colabfit/discrepencies_and_error_metrics_NPJ_2023_interstitial_enhanced_training_set

Viewer • Updated Nov 18, 2025 • 219 • 7

colabfit/discrepencies_and_error_metrics_NPJ_2023_vacancy_enhanced_training_set

Viewer • Updated Nov 18, 2025 • 219 • 12

colabfit/JARVIS_AGRA_CHO

Viewer • Updated Nov 18, 2025 • 217 • 8

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_succinic_acid_test

Viewer • Updated Nov 18, 2025 • 201 • 24

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_succinic_acid_validation

Viewer • Updated Nov 18, 2025 • 201 • 12

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_benzene_validation

Viewer • Updated Nov 18, 2025 • 201 • 13

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_glycine_validation

Viewer • Updated Nov 18, 2025 • 201 • 12

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_glycine_test

Viewer • Updated Nov 18, 2025 • 201 • 8

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_benzene_test

Viewer • Updated Nov 18, 2025 • 201 • 13

colabfit/JARVIS_AGRA_CO

Viewer • Updated Nov 18, 2025 • 195 • 11

colabfit/JARVIS_EPC_2D

Viewer • Updated Nov 18, 2025 • 162 • 20

colabfit/Si-H-GAP_validation

Viewer • Updated Nov 18, 2025 • 151 • 12

colabfit/doped_CsPbI3_energetics_train_validate

Viewer • Updated Nov 18, 2025 • 285 • 18

colabfit/Cationic_phenoxyimine_complexes_of_yttrium

Viewer • Updated Nov 18, 2025 • 110 • 8

colabfit/solute_strengthening_of_prism_edge_locations_in_Mg_alloys

Viewer • Updated Nov 18, 2025 • 156 • 9

colabfit/Yttrium-catalyzed_benzylic_C-H_alkylations_of_alkylpyridines_with_olefins

Viewer • Updated Nov 18, 2025 • 59 • 8

colabfit/doped_CsPbI3_energetics_test

Viewer • Updated Nov 18, 2025 • 125 • 9

colabfit/discrepencies_and_error_metrics_NPJ_2023_enhanced_validation_set

Viewer • Updated Nov 18, 2025 • 51 • 17

colabfit/BOTnet_ACAC_2022_Dihedral_scan

Viewer • Updated Nov 18, 2025 • 46 • 10

colabfit/BOTnet_ACAC_2022_H_transfer

Viewer • Updated Nov 18, 2025 • 16 • 11

colabfit/W_LML-retrain_bulk_MD_test

Viewer • Updated Nov 18, 2025 • 9 • 14

colabfit/3BPA_isolated_atoms

Viewer • Updated Nov 18, 2025 • 5 • 17

colabfit/BOTnet_ACAC_2022_isolated

Viewer • Updated Nov 18, 2025 • 4 • 9

colabfit/TSFF_PLOS_2022

Viewer • Updated Nov 18, 2025 • 2 • 10

colabfit/Ferrimagnetism_induced_by_thermal_vibrations_in_oxygen-deficient_manganite_heterostructures

Updated Nov 18, 2025 • 5

colabfit/Vector-QM24_DFT_all

Viewer • Updated Nov 4, 2025 • 785k • 3

colabfit/Vector-QM24_DFT_uniques

Viewer • Updated Nov 4, 2025 • 258k • 3