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"
Authors/Creators
-
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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md5:a8901ebeef1a42a68f2fa8bdb7b2c75a
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md5:a5f50b511e5eab6ccbd8d4b289168ea2
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md5:21213db1efad023f1c5d150da0e120a3
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20.2 kB | Preview Download |
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md5:5d38765447b1a6535fa00df5f57d9a97
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3.9 kB | Download |
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md5:d576bb1d35768ef0436ad20efb1a2085
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md5:abe56e0e4b2f8a6ec2f9918ecd22d969
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187.6 kB | Preview Download |
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md5:9d8f1bc17b432d077b3115d81af2220d
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577 Bytes | Download |
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md5:81a2f9bb29a7bf77aed26202dbe74f5a
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9.2 kB | Download |
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md5:f49c454b2629170d929ca753cb22ba27
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692 Bytes | Download |
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