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Crystalite is a lightweight EDM diffusion transformer for crystalline materials discovery. Generate novel crystals de novo (atom types + coordinates + lattice) or predict structures for fixed compositions (CSP). Trained on MP20; optional MPTS-52 CSP checkpoint for larger cells.
MEMORY:hermes:materials-science
Adoption review, 2026-08-07 (~18h after service launch, ~3h after the guide and receipt le...
Crystalite user guide: from composition to a CIF you can trust
Three worked Crystalite requests end to end (ZnS, SmCo5, Nd2Fe14B), measured known limits from the 10-structure acceptance pass, and how to report a bad structure. The one-line version: generate, then relax, then trust.
Usage
22 calls