The Wayback Machine - http://web.archive.org/web/20211017031512/https://github.com/topics/compounds
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14 public repositories
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User-friendly extensions of the DrugBank database
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Updated
May 17, 2019
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HTML
SymSpellCompound: compound aware automatic spelling correction
🧪 A comprehensive chemistry library for Python.
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Updated
Sep 13, 2021
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Python
Syntax and implementation the new C/C++iteration related compound statement group loop()
Converting DrugCentral data to Rephetio identifiers
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Updated
Mar 9, 2017
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Jupyter Notebook
A web application to track the kinase research done by the SGC.
Compound splitter for German language ("Komposita-Zerlegung") based on large dictionary combined with highly efficient multi-pattern string search
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Updated
Apr 6, 2021
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Python
Get atoms from a molucular formula
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Updated
Aug 1, 2017
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JavaScript
A GUI to predict and draw molecular shapes using VSEPR theory (Class XI AISSCE Project)
A python package for mapping compounds via UniChem
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Updated
Jun 5, 2015
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Python
Interactively visualizing results from multi-dimensional data sets of chemical assay screening
in silico medicinal chemistry.
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This assert
https://github.com/cmelab/planckton/blob/9c5ce3b409b9c2dc1fbb87c820750cde5b699d52/planckton/sim.py#L112-L115
does not give a useful error when used in planckton-flow. Instead it just fails with something like "Program failed during execution"