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interatomic potential

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colabfit/23-Single-Element-DNPs_RSCDD_2023-Ti

Viewer • Updated Oct 16, 2025 • 11k • 5

colabfit/23-Single-Element-DNPs_RSCDD_2023-Zn

Viewer • Updated Oct 16, 2025 • 7.9k • 1

colabfit/3BPA_test_600K

Viewer • Updated Nov 18, 2025 • 2.14k • 1

colabfit/3BPA_train_300K

Viewer • Updated Nov 18, 2025 • 501 • 1

colabfit/3BPA_train_mixed

Viewer • Updated Nov 18, 2025 • 501 • 3

colabfit/ANI-Al_NC2021-test

Viewer • Updated Nov 18, 2025 • 2.77k • 1

colabfit/ANI-Al_NC2021-train

Viewer • Updated Nov 18, 2025 • 2.78k • 1

colabfit/AgPd_NPJ_2021

Viewer • Updated Oct 16, 2025 • 3.68k • 2

colabfit/AlNiCu_AIP_2020

Viewer • Updated Nov 18, 2025 • 1.02k • 2

colabfit/BA10-18

Viewer • Updated Nov 18, 2025 • 47.8k • 2

colabfit/BOTnet_ACAC_2022_H_transfer

Viewer • Updated Nov 18, 2025 • 16 • 3

colabfit/BOTnet_ACAC_2022_isolated

Viewer • Updated Nov 18, 2025 • 4 • 3

colabfit/BOTnet_ACAC_2022_train_300K_MD

Viewer • Updated Nov 18, 2025 • 501 • 3

colabfit/CA-9_BR_training

Viewer • Updated Oct 17, 2025 • 20k • 1

colabfit/CA-9_BR_validation

Viewer • Updated Oct 16, 2025 • 4k • 1

colabfit/CA-9_RR_validation

Viewer • Updated Oct 16, 2025 • 4k • 1

colabfit/CA-9_test

Viewer • Updated Oct 16, 2025 • 2.73k • 6

colabfit/CGM-MLP_natcomm2023_Cr-C_deposition

Viewer • Updated Oct 16, 2025 • 1.19k • 1

colabfit/CGM-MLP_natcomm2023_Cu-C_deposition

Viewer • Updated Oct 16, 2025 • 1.18k • 2

colabfit/CGM-MLP_natcomm2023_screening_amorphous_carbon_test

Viewer • Updated Oct 16, 2025 • 495 • 2

colabfit/CGM-MLP_natcomm2023_screening_deposited-carbon_Cu_test

Viewer • Updated Oct 16, 2025 • 470 • 1

colabfit/COLL_test

Viewer • Updated Nov 18, 2025 • 9.48k • 1

colabfit/Carbon_GAP_JCP_2020_train

Viewer • Updated Oct 16, 2025 • 8.98k • 4

colabfit/CoCrFeNiPd_MRL2020

Viewer • Updated Oct 16, 2025 • 198 • 1

colabfit/ComBat

Viewer • Updated Nov 18, 2025 • 231 • 8

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_benzene_test

Viewer • Updated Nov 18, 2025 • 201 • 3

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_benzene_train

Viewer • Updated Oct 16, 2025 • 1.8k • 1

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_benzene_train

Viewer • Updated Oct 16, 2025 • 55k • 1

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_glycine_train

Viewer • Updated Oct 17, 2025 • 29.1k • 1

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_glycine_validation

Viewer • Updated Oct 16, 2025 • 501