Edit Datasets filters

interatomic potential

Datasets

460

Full-text search

Active filters: interatomic potential

colabfit/OC20_IS2RES_val_ood_cat

Viewer • Updated Oct 17 • 4.93M • 153

colabfit/OC20_IS2RES_val_id

Viewer • Updated Oct 17 • 4.82M • 373

colabfit/OC20_IS2RES_val_ood_ads

Viewer • Updated Oct 17 • 3.25M • 135

colabfit/COMP6v2-wB97MV-def2TZVPP

Viewer • Updated Nov 18 • 156k • 19

colabfit/Chig-AIMD_random_train

Viewer • Updated Nov 18 • 1 • 43

colabfit/Chig-AIMD_scaffold_train

Viewer • Updated Nov 18 • 1 • 44

colabfit/Co-Co_coupling_at_liquid_water-Cu_100__interfaces_JC2021

Viewer • Updated Oct 17 • 2.51M • 51

colabfit/OC20_IS2RES_val_ood_both

Viewer • Updated Oct 17 • 2.44M • 84

colabfit/OC20_S2EF_train_2M

Viewer • Updated Oct 17 • 1,000k • 65

colabfit/Alex_MP-20_train

Viewer • Updated Oct 16 • 540k • 16

colabfit/NNP-Ga2O3

Viewer • Updated Nov 18 • 18.4k • 15

colabfit/Alexandria_geometry_optimization_paths_PBE_2D

Viewer • Updated Oct 16 • 19.7M • 52

colabfit/Paramagnetic_lanthanide_compounds

Viewer • Updated Nov 18 • 83.5k • 9

colabfit/Massive_Atomic_Diversity_MAD_bench_mad

Viewer • Updated Oct 16 • 1.94k • 4

colabfit/Massive_Atomic_Diversity_MAD_train

Viewer • Updated Oct 16 • 76.5k • 7

colabfit/SAIT_semiconductors_ACS_2023_SiN_raw

Viewer • Updated Oct 16 • 176k • 8

colabfit/Massive_Atomic_Diversity_MAD_test

Viewer • Updated Oct 16 • 9.55k • 8

colabfit/Massive_Atomic_Diversity_MAD_bench_mptrj

Viewer • Updated Oct 16 • 2.16k • 5

colabfit/Massive_Atomic_Diversity_MAD_val

Viewer • Updated Oct 16 • 9.57k • 7

colabfit/Graphene-hBN_and_Graphene-Graphene_DFT_D2

Viewer • Updated Oct 16 • 369 • 10

colabfit/Graphene-hBN_and_Graphene-Graphene_QMC

Viewer • Updated Oct 16 • 76 • 12

colabfit/Graphene-hBN_and_Graphene-Graphene_DFT_D3

Viewer • Updated Oct 16 • 369 • 9

colabfit/ChIMES_C_2.0-Small_2025

Viewer • Updated Oct 16 • 1.24k • 12

colabfit/JARVIS_Materials_Project_84K

Viewer • Updated Nov 18 • 83.4k • 9

colabfit/JARVIS_ALIGNN_FF

Viewer • Updated Oct 16 • 306k • 11

colabfit/JARVIS_MEGNet

Viewer • Updated Nov 18 • 69.2k • 13

colabfit/HPt_NC_2022

Viewer • Updated Oct 16 • 181k • 12

colabfit/OMat24_validation_aimd-from-PBE-3000-npt

Viewer • Updated Oct 16 • 59.5k • 10

colabfit/ANI-1xnr

Viewer • Updated Oct 17 • 197k • 10

colabfit/Hessian_QM9

Viewer • Updated Oct 17 • 333k • 11