Hugging Face's logo
colabfit 's Collections
Meta -- MD Simulation Datasets -- ColabFit
23 Single-Element DNPs -- ColabFit
3BPA -- ColabFit
Alex MP-20 -- ColabFit
Alexandria -- ColabFit
amorphous carbon -- ColabFit
ANI-2x -- ColabFit
ANI-Al -- ColabFit
BOTnet -- ColabFit
CA-9 -- ColabFit
Carbon-24 -- Martirossyan et al.
Chig-AIMD -- ColabFit
COLL -- ColabFit
COMP6v2 -- ColabFit
CGM-MLP -- ColabFit
Datasets: All that structure matches does not glitter
DFT-Polymorphs -- ColabFit
Discrepencies and error metrics -- ColabFit
Doped CsPbI3 -- ColabFit
GST GAP 22 -- ColabFit
HEA25 - High Entropy Alloys -- ColabFit
HME21 - High-temperature Multi-Element 2021 -- ColabFit
HO LiMoNiTi -- ColabFit
JARVIS -- ColabFit
LiGePS / LiSiPS SSE PBE -- ColabFit
MAD Massive Atomic Diversity -- ColabFit
MD22 -- ColabFit
Mlearn -- ColabFit
OC20 IS2RES -- Open Catalyst 2020 -- ColabFit
OC20 S2EF -- Open Catalyst 2020-- ColabFit
OC22 -- Open Catalyst 2022-- ColabFit
OMAT24 -- Open Materials 2024 -- ColabFit
OMC25 -- Open Molecular Crystals -- ColabFit
OMol25 -- Open Molecules 2025 -- ColabFit
QM-22 -- ColabFit
SAIT Semiconductors -- ColabFit
sAlex -- ColabFit
sGDML -- ColabFit
Si-Al-Ti Seko, Togo, Tanaka -- ColabFit
SiH-GAP -- ColabFit
Transition1x -- ColabFit
VQM24 -- ColabFit
WS22 -- ColabFit
xxMD -- ColabFit

Discrepencies and error metrics -- ColabFit

Datasets from Liu, He & Mo, NPJ 2023 (https://doi.org/10.1038/s41524-023-01123-3) in ColabFit format

Upvote
-