Clari, a unit-cell flow matching model with pair-bias attention, generates organic crystal structures faster than OXtal while improving solve rates and supporting energy-based ranking without relaxation.
FastCSP : Accelerated molecular crystal structure prediction with universal model for atoms
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
years
2026 2verdicts
UNVERDICTED 2representative citing papers
CSP-MACE-Å matches PBE DFT with Neumann-Perrin and B86bPBE-XDM DFT performance on two CSP benchmark sets while running much faster and benefiting from harmonic free-energy reranking.
citing papers explorer
-
Fast Organic Crystal Structure Prediction with Unit Cell Flow Matching
Clari, a unit-cell flow matching model with pair-bias attention, generates organic crystal structures faster than OXtal while improving solve rates and supporting energy-based ranking without relaxation.
-
DFT Accuracy on Crystal Structure Prediction with Machine Learning Interatomic Potentials
CSP-MACE-Å matches PBE DFT with Neumann-Perrin and B86bPBE-XDM DFT performance on two CSP benchmark sets while running much faster and benefiting from harmonic free-energy reranking.