Crystal Structure Prediction on MPTS-52 benchmark leaderboard · SOTA2 Research

Crystal Structure Prediction on MPTS-52

31.49Match Rate (MR)Crystalite

Evaluation Results

Method	Links
Crystalite2026.04		31.49	0.0701
OMatG2026.04		25.15	0.1931
Elements2026.04		24.95	0.0908
KLDM2026.04		23.93	0.1276
CrystalFlow2026.04		22.71	0.1548
CrystalFlow2026.04		22.71	0.1548
CrysBFN2026.04		20.52	0.1038
CrystaLLM-large2025.02		19.21	0.111
FlowMM2026.04		17.54	0.1726
FlowMM2026.04		17.54	0.1726
CrystaLLM-small2025.02		17.47	0.1113
DiffCSP2026.04		12.19	0.1786
DiffCSP2025.02		12.19	0.1786
DiffCSP2026.04		12.19	0.1786
U-deCIFer2025.02		11.7	0.1547
deCIFer2025.02		11.6	0.1444
CDVAE2026.04		5.34	0.2106
CDVAE2025.02		5.34	0.2106
CDVAE2026.04		5.34	0.2106