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chemoinformatics
Here are 7 public repositories matching this topic...
The Biochemical Algorithms Library
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May 24, 2022 - C++
Chemoinformatics toolkit with support for inorganic molecules
chemistry
graph-algorithms
molecule
data-structures
chemoinformatics
molecule-builder
conformer-generator
stereochemistry
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Aug 26, 2024 - C++
An algorithm called GIFT to infer the chemogenomic information based on drug-protein interactions
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Apr 10, 2020 - C++
CBE and PBE based calculation for pH
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Nov 11, 2024 - C++
an OOP solution to get a xyz file of a chemical structure and do its rotation in CPP (and visualise the rotation using the molden package)
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Updated
Feb 27, 2020 - C++
chemical viewer
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Updated
May 20, 2024 - C++
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