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/sGDML_Benzene_ccsdt_NC2018_train

Viewer • Updated Nov 18, 2025 • 1k • 14

colabfit/sGDML_Malonaldehyde_ccsdt_NC2018_train

Viewer • Updated Nov 18, 2025 • 1k • 11

colabfit/sGDML_Ethanol_ccsdt_NC2018_train

Viewer • Updated Nov 18, 2025 • 999 • 11

colabfit/JARVIS_AGRA_OH

Viewer • Updated Nov 18, 2025 • 1.76k • 9

colabfit/oxygen-vacancy_defects_in_Cu2O_111_

Viewer • Updated Nov 18, 2025 • 1.72k • 22

colabfit/LiTiO_Science_2020

Viewer • Updated Nov 18, 2025 • 1.79k • 15

colabfit/DAS_MLIP_CoSb_MgSb

Viewer • Updated Nov 18, 2025 • 1.7k • 19

colabfit/HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_train

Viewer • Updated Nov 18, 2025 • 825 • 10

colabfit/water_ice_NEP_2023

Viewer • Updated Nov 18, 2025 • 815 • 16

colabfit/JARVIS_TinNet_OH

Viewer • Updated Nov 18, 2025 • 749 • 11

colabfit/JARVIS_TinNet_O

Viewer • Updated Nov 18, 2025 • 748 • 13

colabfit/HO_LiMoNiTi_NPJCM_2020_bulk_water_train_test

Viewer • Updated Nov 18, 2025 • 701 • 14

colabfit/BOTnet_ACAC_2022_test_600K_MD

Viewer • Updated Nov 18, 2025 • 651 • 11

colabfit/BOTnet_ACAC_2022_test_300K_MD

Viewer • Updated Nov 18, 2025 • 651 • 9

colabfit/MISPR

Viewer • Updated Nov 18, 2025 • 1.01k • 13

colabfit/sGDML_Toluene_ccsdt_NC2018_test

Viewer • Updated Nov 18, 2025 • 502 • 9

colabfit/sGDML_Malonaldehyde_ccsdt_NC2018_test

Viewer • Updated Nov 18, 2025 • 501 • 12

colabfit/BOTnet_ACAC_2022_train_600K_MD

Viewer • Updated Nov 18, 2025 • 501 • 12

colabfit/sGDML_Aspirin_ccsd_NC2018_test

Viewer • Updated Nov 18, 2025 • 501 • 11

colabfit/sGDML_Benzene_ccsdt_NC2018_test

Viewer • Updated Nov 18, 2025 • 501 • 11

colabfit/3BPA_train_mixed

Viewer • Updated Nov 18, 2025 • 501 • 11

colabfit/BOTnet_ACAC_2022_train_300K_MD

Viewer • Updated Nov 18, 2025 • 501 • 9

colabfit/3BPA_train_300K

Viewer • Updated Nov 18, 2025 • 501 • 12

colabfit/pure_magnesium_DFT_PRM2020

Viewer • Updated Nov 18, 2025 • 819 • 12

colabfit/calcium_ferrites_as_cathodes_ca4fe9o17

Viewer • Updated Nov 18, 2025 • 695 • 14

colabfit/JARVIS_TinNet_N

Viewer • Updated Nov 18, 2025 • 330 • 8

colabfit/JARVIS_AGRA_COOH

Viewer • Updated Nov 18, 2025 • 281 • 8

colabfit/Al_Cu_Mg_GSFE_JMPS2019

Viewer • Updated Nov 18, 2025 • 549 • 10

colabfit/N_O_F_columns_non-bonded_vdW_potential_JCP2023

Viewer • Updated Nov 18, 2025 • 535 • 12

colabfit/vanadium_in_high_entropy_alloys_AM2020

Viewer • Updated Nov 18, 2025 • 476 • 11