ColabFit

university

https://colabfit.org/

AI & ML interests

Development of data-driven interatomic potentials (DDIP/MLIP)

colabfit 's datasets 506

colabfit/23-Single-Element-DNPs_RSCDD_2023-Mg

Viewer • Updated Oct 16, 2025 • 5.93k • 47

colabfit/NEP_qHPF_test

Viewer • Updated Oct 16, 2025 • 40 • 21

colabfit/QM-22_OCHCO_cation

Viewer • Updated Oct 16, 2025 • 7.8k • 32

colabfit/23-Single-Element-DNPs_RSCDD_2023-Pb

Viewer • Updated Oct 16, 2025 • 10.6k • 23

colabfit/JARVIS_QM9_STD_JCTC

Viewer • Updated Oct 16, 2025 • 131k • 26

colabfit/23-Single-Element-DNPs_RSCDD_2023-Co

Viewer • Updated Oct 16, 2025 • 6.69k • 26

colabfit/23-Single-Element-DNPs_RSCDD_2023-Au

Viewer • Updated Oct 16, 2025 • 7.19k • 19

colabfit/23-Single-Element-DNPs_RSCDD_2023-Zr

Viewer • Updated Oct 16, 2025 • 9.37k • 21

colabfit/23-Single-Element-DNPs_RSCDD_2023-Re

Viewer • Updated Oct 16, 2025 • 10k • 23

colabfit/QM-22_n-tetradecane_train

Viewer • Updated Oct 16, 2025 • 254k • 26

colabfit/QM-22_n-syn-CH3CHOO

Viewer • Updated Oct 16, 2025 • 159k • 20

colabfit/23-Single-Element-DNPs_RSCDD_2023-I

Viewer • Updated Oct 16, 2025 • 8.97k • 24

colabfit/JARVIS_mlearn

Viewer • Updated Oct 16, 2025 • 3.15k • 41

colabfit/23-Single-Element-DNPs_RSCDD_2023-Pd

Viewer • Updated Oct 16, 2025 • 6.89k • 22

colabfit/SAIT_semiconductors_ACS_2023_HfO_raw

Viewer • Updated Oct 16, 2025 • 384k • 18

colabfit/JARVIS_QE_TB

Viewer • Updated Oct 16, 2025 • 830k • 30

colabfit/SAIT_semiconductors_ACS_2023_HfO_test

Viewer • Updated Oct 16, 2025 • 3.51k • 22

colabfit/AlNiTi_CMS_2019

Viewer • Updated Oct 16, 2025 • 5.35k • 39

colabfit/SAIT_semiconductors_ACS_2023_HfO_out-of-domain

Viewer • Updated Oct 16, 2025 • 7k • 20

colabfit/LiGePS_SSE_PBEsol

Viewer • Updated Oct 16, 2025 • 2.84k • 19

colabfit/23-Single-Element-DNPs_RSCDD_2023-Cu

Viewer • Updated Oct 16, 2025 • 6.72k • 45

colabfit/PWMLFF_feature_comparison_NPJ2023

Viewer • Updated Oct 16, 2025 • 34.5k • 25

colabfit/23-Single-Element-DNPs_RSCDD_2023-Mo

Viewer • Updated Oct 16, 2025 • 7.38k • 32

colabfit/LiSiPS_SSE_PBE

Viewer • Updated Oct 16, 2025 • 9.17k • 51

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ge

Viewer • Updated Oct 16, 2025 • 5.71k • 31

colabfit/23-Single-Element-DNPs_RSCDD_2023-Al

Viewer • Updated Oct 16, 2025 • 5.1k • 62

colabfit/SAIT_semiconductors_ACS_2023_HfO_validation

Viewer • Updated Oct 16, 2025 • 3.51k • 15

colabfit/QM-22_Acetaldehyde_singlet

Viewer • Updated Oct 16, 2025 • 203k • 26

colabfit/QM-22_Glycine

Viewer • Updated Oct 16, 2025 • 70.1k • 31

colabfit/PropMolFlow_QM9_CNOFH_2025

Viewer • Updated Oct 16, 2025 • 21.5k • 101 • 1