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/JARVIS_Materials_Project_2020

Viewer • Updated Oct 17, 2025 • 126k • 6

colabfit/CA-9_BR_training

Viewer • Updated Oct 17, 2025 • 20k • 19

colabfit/HEA25S_high_entropy_alloys

Viewer • Updated Oct 17, 2025 • 30k • 25 • 1

colabfit/Mg_edmonds_2022

Viewer • Updated Oct 17, 2025 • 33.6k • 19

colabfit/Ti_NPJCM_2021

Viewer • Updated Oct 17, 2025 • 14.8k • 22

colabfit/Zr_Sn_JNM_2024

Viewer • Updated Oct 17, 2025 • 23.5k • 11

colabfit/Ag-PBE_MSMSE_2021

Viewer • Updated Oct 17, 2025 • 7.6k • 11

colabfit/Zn_MTP_CMS2023

Viewer • Updated Oct 17, 2025 • 13.5k • 13

colabfit/OMol25_neutral_validation

Viewer • Updated Oct 17, 2025 • 27.7k • 10 • 1

colabfit/DP-GEN_Cu

Viewer • Updated Oct 17, 2025 • 15.3k • 19

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_succinic_acid_train

Viewer • Updated Oct 17, 2025 • 29.2k • 14

colabfit/NENCI-2021

Viewer • Updated Oct 17, 2025 • 85.5k • 22

colabfit/CA-9_validation

Viewer • Updated Oct 17, 2025 • 8k • 16

colabfit/OC20_S2EF_train_200K

Viewer • Updated Oct 17, 2025 • 200k • 40

colabfit/OMat24_validation_aimd-from-PBE-1000-nvt

Viewer • Updated Oct 17, 2025 • 196k • 39

colabfit/Finding_new_crystal_compounds_using_chemical_similarity

Viewer • Updated Oct 17, 2025 • 219k • 9

colabfit/OMat24_validation_aimd-from-PBE-1000-npt

Viewer • Updated Oct 17, 2025 • 203k • 36

colabfit/COMP6v2-wB97MD3BJ-def2TZVPP

Viewer • Updated Oct 17, 2025 • 156k • 35

colabfit/Hessian_QM9

Viewer • Updated Oct 17, 2025 • 333k • 13

colabfit/ANI-1xnr

Viewer • Updated Oct 17, 2025 • 197k • 7

colabfit/UNEP_v1_2023_train

Viewer • Updated Oct 17, 2025 • 1 • 23

colabfit/CA-9_RR_validation

Viewer • Updated Oct 16, 2025 • 4k • 16

colabfit/UNEP_v1_2023_test

Viewer • Updated Oct 16, 2025 • 4.52k • 10

colabfit/CA-9_BR_validation

Viewer • Updated Oct 16, 2025 • 4k • 20

colabfit/Si_Al_Ti_Seko_PRB_2019_test

Viewer • Updated Oct 16, 2025 • 7.98k • 15

colabfit/OMat24_validation_rattled_relax

Viewer • Updated Oct 16, 2025 • 91k • 14

colabfit/CA-9_BB_validation

Viewer • Updated Oct 16, 2025 • 4k • 15

colabfit/stable_and_metastable_phases_in_sputtered_CuInS2

Viewer • Updated Oct 16, 2025 • 6.27k • 14

colabfit/V_PRM2019

Viewer • Updated Oct 16, 2025 • 7.63k • 13

colabfit/TiZrHfTa_APS2021

Viewer • Updated Oct 16, 2025 • 3.62k • 13