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/NDSC_TUT_2022

Viewer • Updated Oct 16, 2025 • 501 • 6

colabfit/Carbon_GAP_JCP_2020

Viewer • Updated Oct 16, 2025 • 34.2k • 16

colabfit/Graphene-hBN_and_Graphene-Graphene_DFT_D3

Viewer • Updated Oct 16, 2025 • 369 • 7

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_succinic_acid_validation

Viewer • Updated Oct 16, 2025 • 501 • 7

colabfit/datasets_for_magnetic_MTP_NatSR2024_training

Viewer • Updated Oct 16, 2025 • 2.43k • 12

colabfit/mlearn_Si_test

Viewer • Updated Oct 16, 2025 • 55 • 14

colabfit/mlearn_Ni_train

Viewer • Updated Oct 16, 2025 • 532 • 11

colabfit/discrepencies_and_error_metrics_NPJ_2023_vacancy_re_testing_set

Viewer • Updated Oct 16, 2025 • 301 • 8

colabfit/Graphene-hBN_and_Graphene-Graphene_QMC

Viewer • Updated Oct 16, 2025 • 76 • 7

colabfit/mlearn_Mo_test

Viewer • Updated Oct 16, 2025 • 51 • 8

colabfit/mlearn_Li_test

Viewer • Updated Oct 16, 2025 • 63 • 15

colabfit/CGM-MLP_natcomm2023_screening_graphite_train

Viewer • Updated Oct 16, 2025 • 42 • 13

colabfit/Graphene-hBN_and_Graphene-Graphene_DFT_D2

Viewer • Updated Oct 16, 2025 • 369 • 10

colabfit/mlearn_Li_train

Viewer • Updated Oct 16, 2025 • 488 • 16

colabfit/CGM-MLP_natcomm2023_screening_carbon-cluster_Cu_test

Viewer • Updated Oct 16, 2025 • 194 • 13

colabfit/mlearn_Si_train

Viewer • Updated Oct 16, 2025 • 434 • 12

colabfit/discrepencies_and_error_metrics_NPJ_2023_interstitial_re_testing_set

Viewer • Updated Oct 16, 2025 • 301 • 5

colabfit/Si-H-GAP_reference

Viewer • Updated Oct 16, 2025 • 115 • 11

colabfit/Si-H-GAP_training

Viewer • Updated Oct 16, 2025 • 393 • 12

colabfit/linear_magnetic_coefficient_in_Cr2O3_JPCM2024

Viewer • Updated Oct 16, 2025 • 378 • 8

colabfit/CGM-MLP_natcomm2023_screening_deposited-carbon_Cu_test

Viewer • Updated Oct 16, 2025 • 470 • 10

colabfit/Fe_nanoparticles_PRB_2023

Viewer • Updated Oct 16, 2025 • 199 • 10

colabfit/CoCrFeNiPd_MRL2020

Viewer • Updated Oct 16, 2025 • 198 • 11

colabfit/mlearn_Cu_train

Viewer • Updated Oct 16, 2025 • 530 • 9

colabfit/ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021

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

colabfit/adatoms_on_single-layer_graphene_PRR2021

Viewer • Updated Oct 16, 2025 • 30 • 6

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_glycine_validation

Viewer • Updated Oct 16, 2025 • 501 • 8

colabfit/23-Single-Element-DNPs_RSCDD_2023-Nb

Viewer • Updated Oct 16, 2025 • 6.36k • 19

colabfit/23-Single-Element-DNPs_RSCDD_2023-Sb

Viewer • Updated Oct 16, 2025 • 10.6k • 14

colabfit/NEP_PRB_2021

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