metadata
license: cc-by-nc-4.0
datasets:
- the-matter-lab/clari-data
tags:
- chemistry
- materials-science
- crystal-structure-prediction
- organic-crystals
- flow-matching
- pytorch
library_name: clari
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.