Published March 4, 2024
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Supplementary data for the article: "MolBar: A Molecular Identifier for Inorganic and Organic Molecules with Full Support of Stereoisomerism"
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1.
RWTH Aachen University
Description
Supplementary scripts and data set used for the paper. Code repository of the version as used in the paper.
Files
dataset_files.zip
Files
(6.0 GB)
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Additional details
Funding
- Ministerium für Kultur und Wissenschaft des Landes Nordrhein-Westfalen
Software
- Repository URL
- https://git.rwth-aachen.de/bannwarthlab/molbar
- Programming language
- Python, Fortran