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

View all activity

colabfit 's datasets 465

colabfit/carbon_X

Viewer • Updated Nov 4, 2025 • 481 • 25

colabfit/carbon-24_unique_with_enantiomorphs

Viewer • Updated Nov 4, 2025 • 4.33k • 11

colabfit/Vector-QM24_DFT_saddles

Viewer • Updated Nov 4, 2025 • 51.1k • 3

colabfit/Vector-QM24_DMC

Viewer • Updated Nov 4, 2025 • 10.8k • 3

colabfit/OMol25_train

Viewer • Updated Nov 4, 2025 • 65.3M • 1.05k • 1

colabfit/carbon-24_unique

Viewer • Updated Oct 24, 2025 • 12.8k • 59

colabfit/carbon-enantiomorphs

Viewer • Updated Oct 24, 2025 • 160 • 25

colabfit/Alex-MP-20_Polymorph_Split

Viewer • Updated Oct 23, 2025 • 675k • 12

colabfit/OMat24_train_aimd_from_PBE_3000_nvt

Viewer • Updated Oct 20, 2025 • 7.84M • 117

colabfit/Open_Molecular_Crystals_2025_OMC25_train

Viewer • Updated Oct 17, 2025 • 16.1M • 95

colabfit/ZIF-4_Amorphous_Zeolitic_Imidazolate_Frameworks_2023

Viewer • Updated Oct 17, 2025 • 1.19M • 14

colabfit/OMat24_train_rattled_300

Viewer • Updated Oct 17, 2025 • 4.21M • 19

colabfit/OC20_IS2RES_val_ood_ads

Viewer • Updated Oct 17, 2025 • 3.25M • 129

colabfit/OMat24_train_aimd_from_PBE_3000_npt

Viewer • Updated Oct 17, 2025 • 5.75M • 81

colabfit/Alexandria_geometry_optimization_paths_PBE_3D

Viewer • Updated Oct 17, 2025 • 99.9M • 755

colabfit/OC20_IS2RES_val_id

Viewer • Updated Oct 17, 2025 • 4.82M • 372

colabfit/OMat24_train_aimd_from_PBE_1000_npt

Viewer • Updated Oct 17, 2025 • 18.8M • 90

colabfit/OC20_IS2RES_val_ood_cat

Viewer • Updated Oct 17, 2025 • 4.93M • 170

colabfit/OMat24_train_aimd_from_PBE_1000_nvt

Viewer • Updated Oct 17, 2025 • 18M • 86

colabfit/OMol25_validation

Viewer • Updated Oct 17, 2025 • 1.84M • 10

colabfit/OMat24_train_rattled_500_subsampled

Viewer • Updated Oct 17, 2025 • 3.18M • 15

colabfit/OC20_S2EF_val_id

Viewer • Updated Oct 17, 2025 • 1,000k • 163

colabfit/OMat24_train_rattled_500

Viewer • Updated Oct 17, 2025 • 4.62M • 18

colabfit/OMat24_train_rattled_300_subsampled

Viewer • Updated Oct 17, 2025 • 2.31M • 9

colabfit/OMat24_train_rattled_1000

Viewer • Updated Oct 17, 2025 • 9.06M • 84

colabfit/OMol25_train_4M

Viewer • Updated Oct 17, 2025 • 2.66M • 578 • 3

colabfit/OC20_S2EF_val_ood_ads

Viewer • Updated Oct 17, 2025 • 800k • 10

colabfit/OC20_S2EF_val_ood_cat

Viewer • Updated Oct 17, 2025 • 800k • 198

colabfit/OC20_IS2RES_val_ood_both

Viewer • Updated Oct 17, 2025 • 2.44M • 75

colabfit/Materials_Project

Viewer • Updated Oct 17, 2025 • 6.34M • 52