Published September 23, 2024 | Version v2
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Supplementary data for the article: "MolBar: A Molecular Identifier for Inorganic and Organic Molecules with Full Support of Stereoisomerism"

Creators

  • 1. ROR icon RWTH Aachen University

Description

Supplementary scripts and data set used for the paper. Code repository of the version as used in the paper https://doi.org/10.1039/d4dd00208c.

Files

supplementary_material.zip

Files (10.6 GB)

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md5:bc67d88ce7d7fdbad73dc781b38b75bd
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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

References