MCFlow uses decoupled flow time axes for atom types and crystal structures so a single model handles crystal structure prediction, de novo generation, and atom-type generation.
We classify structures asstableif Ehull ≤0.0 eV/atom and asmetastableif Ehull ≤0.1 eV/atom
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cs.LG 1years
2026 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Multimodal Crystal Flow: Any-to-Any Modality Generation for Unified Crystal Modeling
MCFlow uses decoupled flow time axes for atom types and crystal structures so a single model handles crystal structure prediction, de novo generation, and atom-type generation.