ColabFit

university

https://colabfit.org/

colabfit

AI & ML interests

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

Recent Activity

gpwolfe updated a dataset about 2 months ago

colabfit/Transition1x_train

gpwolfe updated a dataset about 2 months ago

colabfit/JARVIS_CFID_3D_8_18_2022

gpwolfe updated a dataset about 2 months ago

colabfit/Cu_FHI-aims_NPJCM_2021

View all activity

colabfit 's datasets 465

colabfit/REANN_CO2_Ni100

Viewer • Updated Nov 18, 2025 • 9.85k • 15

colabfit/aC_JCP_2023_train

Viewer • Updated Nov 18, 2025 • 13.5k • 21

colabfit/QM7b_AlphaML

Viewer • Updated Nov 18, 2025 • 36.3k • 14

colabfit/HME21_validation

Viewer • Updated Nov 18, 2025 • 2.5k • 10

colabfit/MD22_stachyose

Viewer • Updated Nov 18, 2025 • 27.3k • 19

colabfit/HME21_test

Viewer • Updated Nov 18, 2025 • 2.5k • 11

colabfit/HDNNP_H2O

Viewer • Updated Nov 18, 2025 • 43.2k • 19

colabfit/Si_PRX_GAP

Viewer • Updated Nov 18, 2025 • 4.73k • 14

colabfit/reduced-perovskite_and_oxidized-marokite_oxides

Viewer • Updated Nov 18, 2025 • 5.84k • 22

colabfit/Hydrogen-induced_insulating_state_SmNiO3

Viewer • Updated Nov 18, 2025 • 6.65k • 18

colabfit/mbGDML_maldonado_2023

Viewer • Updated Nov 18, 2025 • 49.1k • 19

colabfit/NMD-18

Viewer • Updated Nov 18, 2025 • 3k • 21

colabfit/Ta_PINN_2021

Viewer • Updated Nov 18, 2025 • 6.42k • 19

colabfit/Co_dimer_JPCA_2022_train

Viewer • Updated Nov 18, 2025 • 3.6k • 15

colabfit/HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_validation

Viewer • Updated Nov 18, 2025 • 1.79k • 9

colabfit/water_ice_PNAS_2021

Viewer • Updated Nov 18, 2025 • 7.73k • 30

colabfit/COLL_test

Viewer • Updated Nov 18, 2025 • 9.48k • 14

colabfit/QM-22

Viewer • Updated Nov 18, 2025 • 13.5k • 15

colabfit/NNP-Ga2O3

Viewer • Updated Nov 18, 2025 • 18.4k • 19

colabfit/3BPA_test_dih_beta150

Viewer • Updated Nov 18, 2025 • 2.35k • 11

colabfit/3BPA_test_dih_beta180

Viewer • Updated Nov 18, 2025 • 2.35k • 12

colabfit/3BPA_test_300K

Viewer • Updated Nov 18, 2025 • 1.67k • 11

colabfit/AENET_liquid_water_dataset_JCP2021

Viewer • Updated Nov 18, 2025 • 18.4k • 21

colabfit/NVNMD_GeTe

Viewer • Updated Nov 18, 2025 • 5.03k • 21

colabfit/ANI-Al_NC2021-test

Viewer • Updated Nov 18, 2025 • 2.77k • 21

colabfit/3BPA_test_dih_beta120

Viewer • Updated Nov 18, 2025 • 2.35k • 16

colabfit/HO_PNAS_2019

Viewer • Updated Nov 18, 2025 • 1.59k • 15

colabfit/JARVIS_C2DB

Viewer • Updated Nov 18, 2025 • 3.52k • 15

colabfit/C_NPJ2020

Viewer • Updated Nov 18, 2025 • 9.54k • 12

colabfit/ANI-Al_NC2021-train

Viewer • Updated Nov 18, 2025 • 2.78k • 18