ColabFit

university

https://colabfit.org/

colabfit

AI & ML interests

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

colabfit 's datasets 465

colabfit/23-Single-Element-DNPs_RSCDD_2023-Pt

Viewer • Updated Oct 16, 2025 • 5.22k • 4

colabfit/QM-22_Methane

Viewer • Updated Oct 16, 2025 • 9k • 5

colabfit/QM-22_Hydronium

Viewer • Updated Oct 16, 2025 • 32.1k • 5

colabfit/QM-22_Acetaldehyde_triplet

Viewer • Updated Oct 16, 2025 • 51.5k • 8

colabfit/23-Single-Element-DNPs_RSCDD_2023-Os

Viewer • Updated Oct 16, 2025 • 9.39k • 7

colabfit/Massive_Atomic_Diversity_MAD_val

Viewer • Updated Oct 16, 2025 • 9.57k • 1

colabfit/Massive_Atomic_Diversity_MAD_bench_mptrj

Viewer • Updated Oct 16, 2025 • 2.16k • 3

colabfit/Massive_Atomic_Diversity_MAD_test

Viewer • Updated Oct 16, 2025 • 9.55k • 1

colabfit/SAIT_semiconductors_ACS_2023_SiN_raw

Viewer • Updated Oct 16, 2025 • 176k • 2

colabfit/Massive_Atomic_Diversity_MAD_train

Viewer • Updated Oct 16, 2025 • 76.5k • 2

colabfit/Massive_Atomic_Diversity_MAD_bench_mad

Viewer • Updated Oct 16, 2025 • 1.94k • 3

colabfit/Alexandria_geometry_optimization_paths_PBE_2D

Viewer • Updated Oct 16, 2025 • 19.7M • 2

colabfit/MP-20-polymorph-split

Viewer • Updated Sep 16, 2025 • 45.2k • 13

colabfit/perov-5_polymorph_split

Viewer • Updated Sep 16, 2025 • 18.9k • 12

colabfit/carbon_NXL

Viewer • Updated Sep 16, 2025 • 353 • 3