ColabFit

university

https://colabfit.org/

AI & ML interests

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

colabfit 's datasets 506

colabfit/sGDML_Benzene_ccsdt_NC2018_test

Viewer • Updated Nov 18, 2025 • 501 • 38

colabfit/3BPA_train_mixed

Viewer • Updated Nov 18, 2025 • 501 • 34

colabfit/BOTnet_ACAC_2022_train_300K_MD

Viewer • Updated Nov 18, 2025 • 501 • 35

colabfit/3BPA_train_300K

Viewer • Updated Nov 18, 2025 • 501 • 384

colabfit/pure_magnesium_DFT_PRM2020

Viewer • Updated Nov 18, 2025 • 819 • 42

colabfit/calcium_ferrites_as_cathodes_ca4fe9o17

Viewer • Updated Nov 18, 2025 • 695 • 29

colabfit/JARVIS_TinNet_N

Viewer • Updated Nov 18, 2025 • 330 • 33

colabfit/JARVIS_AGRA_COOH

Viewer • Updated Nov 18, 2025 • 281 • 37

colabfit/Al_Cu_Mg_GSFE_JMPS2019

Viewer • Updated Nov 18, 2025 • 549 • 68

colabfit/N_O_F_columns_non-bonded_vdW_potential_JCP2023

Viewer • Updated Nov 18, 2025 • 535 • 25

colabfit/vanadium_in_high_entropy_alloys_AM2020

Viewer • Updated Nov 18, 2025 • 476 • 24

colabfit/TiMoS_alloys_CMS2021

Viewer • Updated Nov 18, 2025 • 523 • 31

colabfit/disordered_transition_metal_oxyfluorides_EA2021

Viewer • Updated Nov 18, 2025 • 234 • 26

colabfit/ComBat

Viewer • Updated Nov 18, 2025 • 231 • 36

colabfit/discrepencies_and_error_metrics_NPJ_2023_interstitial_enhanced_training_set

Viewer • Updated Nov 18, 2025 • 219 • 38

colabfit/discrepencies_and_error_metrics_NPJ_2023_vacancy_enhanced_training_set

Viewer • Updated Nov 18, 2025 • 219 • 57

colabfit/JARVIS_AGRA_CHO

Viewer • Updated Nov 18, 2025 • 217 • 36

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_succinic_acid_test

Viewer • Updated Nov 18, 2025 • 201 • 23

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_succinic_acid_validation

Viewer • Updated Nov 18, 2025 • 201 • 22

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_benzene_validation

Viewer • Updated Nov 18, 2025 • 201 • 27

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_glycine_validation

Viewer • Updated Nov 18, 2025 • 201 • 27

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_glycine_test

Viewer • Updated Nov 18, 2025 • 201 • 26

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_benzene_test

Viewer • Updated Nov 18, 2025 • 201 • 27

colabfit/JARVIS_AGRA_CO

Viewer • Updated Nov 18, 2025 • 195 • 33

colabfit/JARVIS_EPC_2D

Viewer • Updated Nov 18, 2025 • 162 • 35

colabfit/Si-H-GAP_validation

Viewer • Updated Nov 18, 2025 • 151 • 22

colabfit/doped_CsPbI3_energetics_train_validate

Viewer • Updated Nov 18, 2025 • 285 • 36

colabfit/Cationic_phenoxyimine_complexes_of_yttrium

Viewer • Updated Nov 18, 2025 • 110 • 33

colabfit/solute_strengthening_of_prism_edge_locations_in_Mg_alloys

Viewer • Updated Nov 18, 2025 • 156 • 31

colabfit/Yttrium-catalyzed_benzylic_C-H_alkylations_of_alkylpyridines_with_olefins

Viewer • Updated Nov 18, 2025 • 59 • 26