Fast Organic Crystal Structure Prediction with Unit Cell Flow Matching
Paper • 2606.03199 • Published • 1
Fast Organic Crystal Structure Prediction with Unit Cell Flow Matching
This repository contains data and checkpoints for the paper: Fast Organic Crystal Structure Prediction with Unit Cell Flow Matching (arXiv).
Available files are:
clari-huge.ckpt: Clari-H checkpoint (~354M params).clari-large.ckpt: Clari-L checkpoint (~173M params).clari-med.ckpt: Clari-M checkpoint (~88M params).csd-split.csv: CSD refcodes and the dataset split used in the paper.
See the source code (GitHub) for instructions on training and inference.
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