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Jun 27, 2018 - Java
cheminformatics
Here are 25 public repositories matching this topic...
Visualisation of atom groups in molecular graphs with eXamol (based on the eXamine engine).
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Jul 27, 2020 - Java
Different prototypes for detecting chemical graph presentation of the molecules into computer-readable format from image, IUPAC name
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Feb 8, 2021 - Java
A SKI universe
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Aug 13, 2021 - Java
A computational tool for the prediction and identification of metabolites.
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Aug 19, 2021 - Java
Provide APIs to facilitate the integration of various libraries into BioTransformer.
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Aug 25, 2021 - Java
Liquid - liquid extraction simulator for a Chemestry project
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Oct 23, 2021 - Java
GitHub read-only mirror of Toxtree
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Nov 17, 2021 - 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
An object-oriented cheminformatics library.
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Aug 21, 2022 - Java
MCDCalc: Calculation of Markov Singular Values Molecular Descriptors Online Tool
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Mar 18, 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
Parse tree viewer for SMILES strings.
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May 24, 2023 - Java
Computational library for Computer-Assisted Structure Elucidation (CASE).
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Jun 22, 2023 - 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
GitHub read-only mirror of AMBIT
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Jan 5, 2024 - Java
a method/tool to predict the sites of metabolism of drug-like molecules
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Apr 6, 2024 - Java
Chemical Information Ontology
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Apr 19, 2024 - Java
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