An object-oriented cheminformatics library.
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Updated
Aug 21, 2022 - Java
An object-oriented cheminformatics library.
Parse tree viewer for SMILES strings.
StarPep toolbox: a software for studying the antimicrobial chemical space with newtork science tools and similarity searching models
Different prototypes for detecting chemical graph presentation of the molecules into computer-readable format from image, IUPAC name
MCDCalc: Calculation of Markov Singular Values Molecular Descriptors Online Tool
A SKI universe
GitHub read-only mirror of Toxtree
Liquid - liquid extraction simulator for a Chemestry project
Provide APIs to facilitate the integration of various libraries into BioTransformer.
a method/tool to predict the sites of metabolism of drug-like molecules
A computational tool for the prediction and identification of metabolites.
Visualisation of atom groups in molecular graphs with eXamol (based on the eXamine engine).
Computational library for Computer-Assisted Structure Elucidation (CASE).
This repository contains the query and processing code to support the publication "Wikipedia curation and the US-EPA CompTox Chemicals Dashboard."
Always hungry SDF chemical file format parser with many output formats
GitHub read-only mirror of AMBIT
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