Published October 28, 2024 | Version v1
Journal article Open

Connecting metal-organic framework synthesis to applications with multimodal machine learning

  • 1. ROR icon University of Toronto

Description

This repository contains relevant data for the paper " Connecting metal-organic framework synthesis to applications with a self-supervised multimodal model", and contains the powder x-ray diffraction (PXRD) pattern data, precursor data, corresponding labels and (example) weights used for this work. 

Associated article (preprint): https://doi.org/10.26434/chemrxiv-2024-mq9b4

Files

figures.zip

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Additional details

Funding

Natural Sciences and Engineering Research Council
Canada First Research Excellence Fund
CFREF-2022-00042
National Research Council Canada

Software

Repository URL
https://github.com/AI4ChemS/XRayPro
Programming language
Python