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/CGM-MLP_natcomm2023_Cu-C_deposition

Viewer • Updated Oct 16, 2025 • 1.18k • 11

colabfit/alkali-metal_intercalation_in_disordered_carbon_anode_materials_JMCA2019

Viewer • Updated Oct 16, 2025 • 2.73k • 12

colabfit/CGM-MLP_natcomm2023_screening_deposited-carbon_Cu_train

Viewer • Updated Oct 16, 2025 • 1.09k • 6

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_benzene_train

Viewer • Updated Oct 16, 2025 • 1.8k • 11

colabfit/CGM-MLP_natcomm2023_Ti-C_deposition

Viewer • Updated Oct 16, 2025 • 1.31k • 7

colabfit/CGM-MLP_natcomm2023_Cr-C_deposition

Viewer • Updated Oct 16, 2025 • 1.19k • 13

colabfit/AgPd_NPJ_2021

Viewer • Updated Oct 16, 2025 • 3.68k • 9

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_glycine_test

Viewer • Updated Oct 16, 2025 • 501 • 9

colabfit/rQM9

Viewer • Updated Oct 16, 2025 • 134k • 38 • 1

colabfit/CGM-MLP_natcomm2023_Cu-C_metal_surface

Viewer • Updated Oct 16, 2025 • 521 • 6

colabfit/JARVIS-Polymer-Genome

Viewer • Updated Oct 16, 2025 • 2.15k • 14

colabfit/ChIMES_C_2.0-Small_2025

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

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_benzene_validation

Viewer • Updated Oct 16, 2025 • 1k • 10

colabfit/CGM-MLP_natcomm2023_screening_carbon-cluster_Cu_train

Viewer • Updated Oct 16, 2025 • 589 • 11

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_benzene_test

Viewer • Updated Oct 16, 2025 • 1k • 9

colabfit/CuPd_CMS2019

Viewer • Updated Oct 16, 2025 • 523 • 6

colabfit/Carbon_allotrope_multilayer_graphene_graphite_PRB2019

Viewer • Updated Oct 16, 2025 • 28.4k • 10

colabfit/mlearn_Ni_test

Viewer • Updated Oct 16, 2025 • 67 • 8

colabfit/mlearn_Mo_train

Viewer • Updated Oct 16, 2025 • 394 • 16

colabfit/mlearn_Cu_test

Viewer • Updated Oct 16, 2025 • 67 • 16

colabfit/datasets_for_magnetic_MTP_NatSR2024_verification

Viewer • Updated Oct 16, 2025 • 539 • 7

colabfit/CGM-MLP_natcomm2023_screening_amorphous_carbon_test

Viewer • Updated Oct 16, 2025 • 495 • 6

colabfit/local_polarization_in_oxygen-deficient_LaMnO3_PRR2020

Viewer • Updated Oct 16, 2025 • 9.12k • 20

colabfit/Carbon_GAP_JCP_2020_train

Viewer • Updated Oct 16, 2025 • 8.98k • 20

colabfit/electrode_materials_for_ca-based_rechargeable_batteries

Viewer • Updated Oct 16, 2025 • 9.46k • 13

colabfit/CoNbV_CMS2019

Viewer • Updated Oct 16, 2025 • 384 • 8

colabfit/Ta_Linear_JCP2014

Viewer • Updated Oct 16, 2025 • 738 • 7

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_succinic_acid_test

Viewer • Updated Oct 16, 2025 • 501 • 9

colabfit/mlearn_Ge_test

Viewer • Updated Oct 16, 2025 • 55 • 16

colabfit/mlearn_Ge_train

Viewer • Updated Oct 16, 2025 • 462 • 17