Edit Datasets filters

interatomic potential

Datasets

460

Full-text search

Active filters: interatomic potential

colabfit/NEP_qHPF_test

Viewer • Updated Oct 16, 2025 • 40 • 1

colabfit/NNIP_FeH_PRM_2021

Viewer • Updated Nov 18, 2025 • 41.7k • 2

colabfit/Nb_PRM2019

Viewer • Updated Oct 16, 2025 • 7.6k

colabfit/NequIP_NC_2022

Viewer • Updated Nov 18, 2025 • 114k • 3

colabfit/OC22-IS2RE-Validation-in-domain

Viewer • Updated Nov 18, 2025 • 442k • 14

colabfit/OMat24_validation_aimd-from-PBE-3000-nvt

Viewer • Updated Oct 16, 2025 • 76.5k • 3

colabfit/Si-H-GAP_validation

Viewer • Updated Nov 18, 2025 • 151 • 2

colabfit/Si_Al_Ti_Seko_PRB_2019_train

Viewer • Updated Oct 17, 2025 • 72.3k • 2

colabfit/Ta_PINN_2021

Viewer • Updated Nov 18, 2025 • 6.42k • 2

colabfit/TdS-PdV_Atari5200

Viewer • Updated Oct 16, 2025 • 88.3k • 3

colabfit/Transition1x-test

Viewer • Updated Nov 18, 2025 • 190k • 12

colabfit/Transition1x_train

Viewer • Updated Nov 18, 2025 • 63k • 9 • 1

colabfit/V_PRM2019

Viewer • Updated Oct 16, 2025 • 7.63k • 1

colabfit/WS22_acrolein

Viewer • Updated Nov 18, 2025 • 120k • 3

colabfit/WS22_o-hbdi

Viewer • Updated Nov 18, 2025 • 120k • 2

colabfit/WS22_thymine

Viewer • Updated Nov 18, 2025 • 120k • 1

colabfit/WS22_toluene

Viewer • Updated Nov 18, 2025 • 1 • 3

colabfit/Zeo-1_SD_2022

Viewer • Updated Nov 18, 2025 • 12.9k • 2

colabfit/aC_JCP_2023_train

Viewer • Updated Nov 18, 2025 • 13.5k • 3

colabfit/adatoms_on_single-layer_graphene_PRR2021

Viewer • Updated Oct 16, 2025 • 30 • 3

colabfit/alpha_brass_nanoparticles

Viewer • Updated Nov 18, 2025 • 107k • 4

colabfit/defected_phosphorene_ACS_2023

Viewer • Updated Nov 18, 2025 • 5.09k • 1

colabfit/discrepencies_and_error_metrics_NPJ_2023_interstitial_enhanced_training_set

Viewer • Updated Nov 18, 2025 • 219 • 1

colabfit/discrepencies_and_error_metrics_NPJ_2023_vacancy_enhanced_training_set

Viewer • Updated Nov 18, 2025 • 219

colabfit/doped_CsPbI3_energetics_train_validate

Viewer • Updated Nov 18, 2025 • 285 • 1

colabfit/flexible_molecules_JCP2021

Viewer • Updated Nov 18, 2025 • 138k • 5

colabfit/local_polarization_in_oxygen-deficient_LaMnO3_PRR2020

Viewer • Updated Oct 16, 2025 • 9.12k • 8

colabfit/mlearn_Cu_test

Viewer • Updated Oct 16, 2025 • 67 • 3

colabfit/mlearn_Cu_train

Viewer • Updated Oct 16, 2025 • 530 • 1

colabfit/mlearn_Ge_test

Viewer • Updated Oct 16, 2025 • 55 • 3