cheminformatics
Here are 25 public repositories matching this topic...
The Chemistry Development Kit
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Jul 10, 2024 - Java
Bacting is an open-source platform for chemo- and bioinformatics based on Bioclipse that defines a number of common domain objects and wraps common functionality, providing a toolkit independent, scriptable solution to handle data from the life sciences.
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Jun 23, 2024 - Java
SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)
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Jun 24, 2024 - Java
Always hungry SDF chemical file format parser with many output formats
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Jul 11, 2024 - Java
Chemical Information Ontology
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Apr 19, 2024 - Java
a method/tool to predict the sites of metabolism of drug-like molecules
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Apr 6, 2024 - Java
GitHub read-only mirror of AMBIT
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Jan 5, 2024 - Java
sirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java
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Aug 26, 2023 - Java
Computational library for Computer-Assisted Structure Elucidation (CASE).
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Jun 22, 2023 - Java
Parse tree viewer for SMILES strings.
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May 24, 2023 - Java
StarPep toolbox: a software for studying the antimicrobial chemical space with newtork science tools and similarity searching models
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Apr 17, 2023 - Java
MCDCalc: Calculation of Markov Singular Values Molecular Descriptors Online Tool
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Mar 18, 2023 - Java
An object-oriented cheminformatics library.
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Aug 21, 2022 - Java
This repository contains the query and processing code to support the publication "Wikipedia curation and the US-EPA CompTox Chemicals Dashboard."
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Feb 4, 2022 - Java
GitHub read-only mirror of Toxtree
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Nov 17, 2021 - Java
Liquid - liquid extraction simulator for a Chemestry project
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Oct 23, 2021 - Java
Provide APIs to facilitate the integration of various libraries into BioTransformer.
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Aug 25, 2021 - Java
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