ColabFit

university

https://colabfit.org/

AI & ML interests

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

colabfit 's datasets 506

colabfit/linear_magnetic_coefficient_in_Cr2O3_JPCM2024

Viewer • Updated Oct 16, 2025 • 378 • 41

colabfit/CGM-MLP_natcomm2023_screening_deposited-carbon_Cu_test

Viewer • Updated Oct 16, 2025 • 470 • 20

colabfit/Fe_nanoparticles_PRB_2023

Viewer • Updated Oct 16, 2025 • 199 • 32

colabfit/CoCrFeNiPd_MRL2020

Viewer • Updated Oct 16, 2025 • 198 • 40

colabfit/mlearn_Cu_train

Viewer • Updated Oct 16, 2025 • 530 • 60

colabfit/ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021

Viewer • Updated Oct 16, 2025 • 2.2k • 41

colabfit/adatoms_on_single-layer_graphene_PRR2021

Viewer • Updated Oct 16, 2025 • 30 • 39

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_glycine_validation

Viewer • Updated Oct 16, 2025 • 501 • 42

colabfit/23-Single-Element-DNPs_RSCDD_2023-Nb

Viewer • Updated Oct 16, 2025 • 6.36k • 37

colabfit/23-Single-Element-DNPs_RSCDD_2023-Sb

Viewer • Updated Oct 16, 2025 • 10.6k • 36

colabfit/NEP_PRB_2021

Viewer • Updated Oct 16, 2025 • 14.5k • 77

colabfit/QM-22_Ethanol

Viewer • Updated Oct 16, 2025 • 11k • 26

colabfit/23-Single-Element-DNPs_RSCDD_2023-Zn

Viewer • Updated Oct 16, 2025 • 7.9k • 137

colabfit/Alexandria_geometry_optimization_paths_PBE_1D

Viewer • Updated Oct 16, 2025 • 1.39M • 54

colabfit/23-Single-Element-DNPs_RSCDD_2023-Li

Viewer • Updated Oct 16, 2025 • 5.07k • 40

colabfit/23-Single-Element-DNPs_all_trajectories

Viewer • Updated Oct 16, 2025 • 109k • 66

colabfit/QM-22_n-tetradecane_test

Viewer • Updated Oct 16, 2025 • 89.6k • 38

colabfit/NEP_qHPF_train

Viewer • Updated Oct 16, 2025 • 238 • 30

colabfit/Alex_MP-20_train

Viewer • Updated Oct 16, 2025 • 540k • 170

colabfit/LiSiPS_SSE_PBEsol

Viewer • Updated Oct 16, 2025 • 2.36k • 29

colabfit/Nb_PRM2019

Viewer • Updated Oct 16, 2025 • 7.6k • 48

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ag

Viewer • Updated Oct 16, 2025 • 7.44k • 44

colabfit/SAIT_semiconductors_ACS_2023_HfO_train

Viewer • Updated Oct 16, 2025 • 28k • 27

colabfit/QM-22_H2CO_to_cis_and_trans_HCOH

Viewer • Updated Oct 16, 2025 • 34.8k • 21

colabfit/SAIT_semiconductors_ACS_2023_SiN_test

Viewer • Updated Oct 16, 2025 • 2.87k • 24

colabfit/23-Single-Element-DNPs_RSCDD_2023-Kr

Viewer • Updated Oct 16, 2025 • 5.85k • 30

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ti

Viewer • Updated Oct 16, 2025 • 11k • 119

colabfit/23-Single-Element-DNPs_RSCDD_2023-Sr

Viewer • Updated Oct 16, 2025 • 6.2k • 40

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ni

Viewer • Updated Oct 16, 2025 • 7.59k • 49

colabfit/SAIT_semiconductors_ACS_2023_SiN_out-of-domain

Viewer • Updated Oct 16, 2025 • 1.24k • 22