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/OMat24_validation_rattled_300

Viewer • Updated Oct 16, 2025 • 1 • 10

colabfit/OMat24_validation_aimd-from-PBE-3000-npt

Viewer • Updated Oct 16, 2025 • 59.5k • 6

colabfit/W_PRB2019

Viewer • Updated Oct 16, 2025 • 7.08k • 9

colabfit/HPt_NC_2022

Viewer • Updated Oct 16, 2025 • 181k • 7

colabfit/GST_GAP_22_extended

Viewer • Updated Oct 16, 2025 • 2.92k • 11

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_glycine_train

Viewer • Updated Oct 16, 2025 • 3.6k • 7

colabfit/JARVIS_ALIGNN_FF

Viewer • Updated Oct 16, 2025 • 306k • 7

colabfit/Mo_PRM2019

Viewer • Updated Oct 16, 2025 • 7.6k • 10

colabfit/OMat24_validation_aimd-from-PBE-3000-nvt

Viewer • Updated Oct 16, 2025 • 76.5k • 13

colabfit/Ta_PRM2019

Viewer • Updated Oct 16, 2025 • 7.57k • 11

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_benzene_train

Viewer • Updated Oct 16, 2025 • 55k • 19

colabfit/Silica_NPJCM_2022

Viewer • Updated Oct 16, 2025 • 6.15k • 13

colabfit/OMat24_validation_rattled_500

Viewer • Updated Oct 16, 2025 • 68.8k • 16

colabfit/TdS-PdV_Atari5200

Viewer • Updated Oct 16, 2025 • 88.3k • 18

colabfit/CGM-MLP_natcomm2023_screening_amorphous_carbon_train

Viewer • Updated Oct 16, 2025 • 2.56k • 14

colabfit/JARVIS-QM9-DGL

Viewer • Updated Oct 16, 2025 • 131k • 24

colabfit/AgAu-nanoalloy_MSMSE_2021

Viewer • Updated Oct 16, 2025 • 103k • 13

colabfit/GST_GAP_22_main

Viewer • Updated Oct 16, 2025 • 2.69k • 9

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_succinic_acid_train

Viewer • Updated Oct 16, 2025 • 1.8k • 10

colabfit/CA-9_test

Viewer • Updated Oct 16, 2025 • 2.73k • 13

colabfit/CA-9_training

Viewer • Updated Oct 16, 2025 • 40k • 12

colabfit/GST_GAP_22_refitted

Viewer • Updated Oct 16, 2025 • 2.69k • 13

colabfit/OMat24_validation_rattled_500_subsampled

Viewer • Updated Oct 16, 2025 • 39.5k • 15

colabfit/FitSNAP_Fe_NPJ_2021

Viewer • Updated Oct 16, 2025 • 2.52k • 11

colabfit/OMat24_validation_rattled_1000_subsampled

Viewer • Updated Oct 16, 2025 • 38.3k • 10

colabfit/MoNbTaVW_PRB2021

Viewer • Updated Oct 16, 2025 • 4.68k • 16

colabfit/InP_JPCA2020

Viewer • Updated Oct 16, 2025 • 5.42k • 16

colabfit/CrCoNi_Cao_2022

Viewer • Updated Oct 16, 2025 • 1.26k • 9

colabfit/CGM-MLP_natcomm2023_Cu-C-O_deposition

Viewer • Updated Oct 16, 2025 • 1.69k • 10

colabfit/CGM-MLP_natcomm2023_Cu-C-O

Viewer • Updated Oct 16, 2025 • 1.72k • 13