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13 search results found

The Chemistry Development Kit

Universal cheminformatics toolkit, utilities and database search tools

Openchemlib ⭐ 66

Open source Java-based chemistry library

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)

Sirius Libs ⭐ 45

sirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java

Chemalot ⭐ 31

chemalot: a command-line cheminformatics open-source package

Groovy Cheminformatics with the Chemistry Development Kit

Essential Cheminformatics

Bacting := acting as the Bioclipse TNG

Semanticchemistry ⭐ 10

Chemical Information Ontology

Cheminfbenchmark ⭐ 10

Cheminformatics Benchmark Toolkit

Always hungry SDF chemical file format parser with many output formats

Ambit Mirror ⭐ 6

GitHub read-only mirror of AMBIT

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