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/QM-22_Ethanol

Viewer • Updated Oct 16, 2025 • 11k • 10

colabfit/23-Single-Element-DNPs_RSCDD_2023-Zn

Viewer • Updated Oct 16, 2025 • 7.9k • 16

colabfit/Alexandria_geometry_optimization_paths_PBE_1D

Viewer • Updated Oct 16, 2025 • 1.39M • 125

colabfit/23-Single-Element-DNPs_RSCDD_2023-Li

Viewer • Updated Oct 16, 2025 • 5.07k • 11

colabfit/23-Single-Element-DNPs_all_trajectories

Viewer • Updated Oct 16, 2025 • 109k • 30

colabfit/QM-22_n-tetradecane_test

Viewer • Updated Oct 16, 2025 • 89.6k • 19

colabfit/NEP_qHPF_train

Viewer • Updated Oct 16, 2025 • 238 • 17

colabfit/Alex_MP-20_train

Viewer • Updated Oct 16, 2025 • 540k • 11

colabfit/LiSiPS_SSE_PBEsol

Viewer • Updated Oct 16, 2025 • 2.36k • 12

colabfit/Nb_PRM2019

Viewer • Updated Oct 16, 2025 • 7.6k • 11

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ag

Viewer • Updated Oct 16, 2025 • 7.44k • 42

colabfit/SAIT_semiconductors_ACS_2023_HfO_train

Viewer • Updated Oct 16, 2025 • 28k • 14

colabfit/QM-22_H2CO_to_cis_and_trans_HCOH

Viewer • Updated Oct 16, 2025 • 34.8k • 12

colabfit/SAIT_semiconductors_ACS_2023_SiN_test

Viewer • Updated Oct 16, 2025 • 2.87k • 15

colabfit/23-Single-Element-DNPs_RSCDD_2023-Kr

Viewer • Updated Oct 16, 2025 • 5.85k • 12

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ti

Viewer • Updated Oct 16, 2025 • 11k • 18

colabfit/23-Single-Element-DNPs_RSCDD_2023-Sr

Viewer • Updated Oct 16, 2025 • 6.2k • 19

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ni

Viewer • Updated Oct 16, 2025 • 7.59k • 11

colabfit/SAIT_semiconductors_ACS_2023_SiN_out-of-domain

Viewer • Updated Oct 16, 2025 • 1.24k • 10

colabfit/23-Single-Element-DNPs_RSCDD_2023-Mg

Viewer • Updated Oct 16, 2025 • 5.93k • 12

colabfit/NEP_qHPF_test

Viewer • Updated Oct 16, 2025 • 40 • 9

colabfit/QM-22_OCHCO_cation

Viewer • Updated Oct 16, 2025 • 7.8k • 6

colabfit/23-Single-Element-DNPs_RSCDD_2023-Pb

Viewer • Updated Oct 16, 2025 • 10.6k • 19

colabfit/JARVIS_QM9_STD_JCTC

Viewer • Updated Oct 16, 2025 • 131k • 29

colabfit/23-Single-Element-DNPs_RSCDD_2023-Co

Viewer • Updated Oct 16, 2025 • 6.69k • 31

colabfit/23-Single-Element-DNPs_RSCDD_2023-Au

Viewer • Updated Oct 16, 2025 • 7.19k • 38

colabfit/23-Single-Element-DNPs_RSCDD_2023-Zr

Viewer • Updated Oct 16, 2025 • 9.37k • 14

colabfit/23-Single-Element-DNPs_RSCDD_2023-Re

Viewer • Updated Oct 16, 2025 • 10k • 13

colabfit/QM-22_n-tetradecane_train

Viewer • Updated Oct 16, 2025 • 254k • 52

colabfit/QM-22_n-syn-CH3CHOO

Viewer • Updated Oct 16, 2025 • 159k • 32