ColabFit

university

https://colabfit.org/

colabfit

AI & ML interests

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

Recent Activity

gpwolfe updated a dataset about 2 months ago

colabfit/Transition1x_train

gpwolfe updated a dataset about 2 months ago

colabfit/JARVIS_CFID_3D_8_18_2022

gpwolfe updated a dataset about 2 months ago

colabfit/Cu_FHI-aims_NPJCM_2021

View all activity

colabfit 's datasets 465

colabfit/23-Single-Element-DNPs_RSCDD_2023-I

Viewer • Updated Oct 16, 2025 • 8.97k • 12

colabfit/JARVIS_mlearn

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

colabfit/23-Single-Element-DNPs_RSCDD_2023-Pd

Viewer • Updated Oct 16, 2025 • 6.89k • 14

colabfit/SAIT_semiconductors_ACS_2023_HfO_raw

Viewer • Updated Oct 16, 2025 • 384k • 23

colabfit/JARVIS_QE_TB

Viewer • Updated Oct 16, 2025 • 830k • 138

colabfit/SAIT_semiconductors_ACS_2023_HfO_test

Viewer • Updated Oct 16, 2025 • 3.51k • 14

colabfit/AlNiTi_CMS_2019

Viewer • Updated Oct 16, 2025 • 5.35k • 12

colabfit/SAIT_semiconductors_ACS_2023_HfO_out-of-domain

Viewer • Updated Oct 16, 2025 • 7k • 11

colabfit/LiGePS_SSE_PBEsol

Viewer • Updated Oct 16, 2025 • 2.84k • 14

colabfit/23-Single-Element-DNPs_RSCDD_2023-Cu

Viewer • Updated Oct 16, 2025 • 6.72k • 12

colabfit/PWMLFF_feature_comparison_NPJ2023

Viewer • Updated Oct 16, 2025 • 34.5k • 12

colabfit/23-Single-Element-DNPs_RSCDD_2023-Mo

Viewer • Updated Oct 16, 2025 • 7.38k • 13

colabfit/LiSiPS_SSE_PBE

Viewer • Updated Oct 16, 2025 • 9.17k • 17

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ge

Viewer • Updated Oct 16, 2025 • 5.71k • 29

colabfit/23-Single-Element-DNPs_RSCDD_2023-Al

Viewer • Updated Oct 16, 2025 • 5.1k • 38

colabfit/SAIT_semiconductors_ACS_2023_HfO_validation

Viewer • Updated Oct 16, 2025 • 3.51k • 12

colabfit/QM-22_Acetaldehyde_singlet

Viewer • Updated Oct 16, 2025 • 203k • 42

colabfit/QM-22_Glycine

Viewer • Updated Oct 16, 2025 • 70.1k • 20

colabfit/PropMolFlow_QM9_CNOFH_2025

Viewer • Updated Oct 16, 2025 • 21.5k • 37 • 1

colabfit/QM-22_Malonaldehyde

Viewer • Updated Oct 16, 2025 • 11.1k • 10

colabfit/SAIT_semiconductors_ACS_2023_SiN_train

Viewer • Updated Oct 16, 2025 • 22.5k • 17

colabfit/NiCoCr_NC2020

Viewer • Updated Oct 16, 2025 • 923 • 12

colabfit/Alex_MP-20_test

Viewer • Updated Oct 16, 2025 • 67.5k • 15

colabfit/SAIT_semiconductors_ACS_2023_SiN_validation

Viewer • Updated Oct 16, 2025 • 2.82k • 10

colabfit/QM-22_Tropolone

Viewer • Updated Oct 16, 2025 • 6.77k • 6

colabfit/LiGePS_SSE_PBE

Viewer • Updated Oct 16, 2025 • 6.55k • 11

colabfit/MTPu_2023

Viewer • Updated Oct 16, 2025 • 2.13k • 9

colabfit/Alex_MP-20_validation

Viewer • Updated Oct 16, 2025 • 135k • 15

colabfit/QM-22_N-methyl_acetamide

Viewer • Updated Oct 16, 2025 • 6.61k • 5

colabfit/JARVIS_SNUMAT

Viewer • Updated Oct 16, 2025 • 41.9k • 9