ColabFit

university

https://colabfit.org/

colabfit

AI & ML interests

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

Recent Activity

gpwolfe updated a dataset about 1 month ago

colabfit/Transition1x_train

gpwolfe updated a dataset about 1 month ago

colabfit/JARVIS_CFID_3D_8_18_2022

gpwolfe updated a dataset about 1 month ago

colabfit/Cu_FHI-aims_NPJCM_2021

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colabfit 's datasets 465

colabfit/sAlex_train

Viewer • Updated Oct 17, 2025 • 10.1M • 75

colabfit/Open_Molecular_Crystals_2025_OMC25_validation

Viewer • Updated Oct 17, 2025 • 1,000k • 9

colabfit/OMat24_train_rattled_relax

Viewer • Updated Oct 17, 2025 • 9.17M • 81

colabfit/OC20_S2EF_val_ood_both

Viewer • Updated Oct 17, 2025 • 1,000k • 2

colabfit/OC20_S2EF_train_2M

Viewer • Updated Oct 17, 2025 • 1,000k • 62

colabfit/OMat24_train_rattled_1000_subsampled

Viewer • Updated Oct 17, 2025 • 2.59M • 2

colabfit/ANI-2x-wB97X-def2TZVPP

Viewer • Updated Oct 17, 2025 • 16.2M • 21

colabfit/Co-Co_coupling_at_liquid_water-Cu_100__interfaces_JC2021

Viewer • Updated Oct 17, 2025 • 2.51M • 50

colabfit/OC20_S2EF_train_20M

Viewer • Updated Oct 17, 2025 • 18M • 72

colabfit/OMol25_train_neutral

Viewer • Updated Oct 17, 2025 • 34.3M • 73

colabfit/SPICE_2023

Viewer • Updated Oct 17, 2025 • 190k • 33

colabfit/OMat24_validation_rattled_1000

Viewer • Updated Oct 17, 2025 • 117k • 29

colabfit/sAlex_validation

Viewer • Updated Oct 17, 2025 • 553k • 91

colabfit/WBe_PRB2019

Viewer • Updated Oct 17, 2025 • 48.2k • 21

colabfit/OMat24_validation_rattled_300_subsampled

Viewer • Updated Oct 17, 2025 • 34.2k • 10

colabfit/In2Se3_2D_DPGEN

Viewer • Updated Oct 17, 2025 • 11.5k • 11

colabfit/HfO2_NPJ_2020

Viewer • Updated Oct 17, 2025 • 6k • 19

colabfit/Au-PBE_MSMSE_2021

Viewer • Updated Oct 17, 2025 • 19.4k • 17

colabfit/CA-9_RR_training

Viewer • Updated Oct 17, 2025 • 20k • 12

colabfit/Si_Al_Ti_Seko_PRB_2019_train

Viewer • Updated Oct 17, 2025 • 72.3k • 21

colabfit/cathode_materials_for_rechargeable_Ca_batteries_CM2021

Viewer • Updated Oct 17, 2025 • 21.7k • 15

colabfit/CGM-MLP_natcomm2023_GAP_20

Viewer • Updated Oct 17, 2025 • 6.18k • 18

colabfit/HfO2_DPGEN_PRB_2021

Viewer • Updated Oct 17, 2025 • 28.6k • 13

colabfit/aleatoric_epistemic_error_AIC2023

Viewer • Updated Oct 17, 2025 • 54k • 16

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_glycine_train

Viewer • Updated Oct 17, 2025 • 29.1k • 24

colabfit/CA-9_BB_training

Viewer • Updated Oct 17, 2025 • 20k • 18

colabfit/W-14

Viewer • Updated Oct 17, 2025 • 19.2k • 11

colabfit/DeePMD_SE

Viewer • Updated Oct 17, 2025 • 253k • 21

colabfit/HEA25_high_entropy_transition-metal_alloys

Viewer • Updated Oct 17, 2025 • 51.3k • 22

colabfit/Sn-SCAN_PRM_2023

Viewer • Updated Oct 17, 2025 • 6.72k • 21