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interatomic potential

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colabfit/OC20_IS2RES_val_id

Viewer • Updated Oct 17, 2025 • 4.82M • 375

colabfit/OC20_IS2RES_val_ood_ads

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

colabfit/COMP6v2-wB97MV-def2TZVPP

Viewer • Updated Nov 18, 2025 • 156k • 16

colabfit/Chig-AIMD_random_train

Viewer • Updated Nov 18, 2025 • 1 • 38

colabfit/Chig-AIMD_scaffold_train

Viewer • Updated Nov 18, 2025 • 1 • 38

colabfit/Co-Co_coupling_at_liquid_water-Cu_100__interfaces_JC2021

Viewer • Updated Oct 17, 2025 • 2.51M • 46

colabfit/OC20_IS2RES_val_ood_both

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

colabfit/OC20_S2EF_train_2M

Viewer • Updated Oct 17, 2025 • 1,000k • 59

colabfit/Alex_MP-20_train

Viewer • Updated Oct 16, 2025 • 540k • 12

colabfit/NNP-Ga2O3

Viewer • Updated Nov 18, 2025 • 18.4k • 19

colabfit/Alexandria_geometry_optimization_paths_PBE_2D

Viewer • Updated Oct 16, 2025 • 19.7M • 17

colabfit/Paramagnetic_lanthanide_compounds

Viewer • Updated Nov 18, 2025 • 83.5k • 3

colabfit/Massive_Atomic_Diversity_MAD_bench_mad

Viewer • Updated Oct 16, 2025 • 1.94k • 2

colabfit/Massive_Atomic_Diversity_MAD_train

Viewer • Updated Oct 16, 2025 • 76.5k • 4

colabfit/SAIT_semiconductors_ACS_2023_SiN_raw

Viewer • Updated Oct 16, 2025 • 176k • 7

colabfit/Massive_Atomic_Diversity_MAD_test

Viewer • Updated Oct 16, 2025 • 9.55k • 5

colabfit/Massive_Atomic_Diversity_MAD_bench_mptrj

Viewer • Updated Oct 16, 2025 • 2.16k • 4

colabfit/Massive_Atomic_Diversity_MAD_val

Viewer • Updated Oct 16, 2025 • 9.57k • 5

colabfit/Graphene-hBN_and_Graphene-Graphene_DFT_D2

Viewer • Updated Oct 16, 2025 • 369 • 7

colabfit/Graphene-hBN_and_Graphene-Graphene_QMC

Viewer • Updated Oct 16, 2025 • 76 • 10

colabfit/Graphene-hBN_and_Graphene-Graphene_DFT_D3

Viewer • Updated Oct 16, 2025 • 369 • 6

colabfit/ChIMES_C_2.0-Small_2025

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

colabfit/JARVIS_Materials_Project_84K

Viewer • Updated Nov 18, 2025 • 83.4k • 5

colabfit/JARVIS_ALIGNN_FF

Viewer • Updated Oct 16, 2025 • 306k • 8

colabfit/JARVIS_MEGNet

Viewer • Updated Nov 18, 2025 • 69.2k • 9

colabfit/HPt_NC_2022

Viewer • Updated Oct 16, 2025 • 181k • 8

colabfit/OMat24_validation_aimd-from-PBE-3000-npt

Viewer • Updated Oct 16, 2025 • 59.5k • 7

colabfit/ANI-1xnr

Viewer • Updated Oct 17, 2025 • 197k • 9

colabfit/Hessian_QM9

Viewer • Updated Oct 17, 2025 • 333k • 10

colabfit/Finding_new_crystal_compounds_using_chemical_similarity

Viewer • Updated Oct 17, 2025 • 219k • 7