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Showing 4 open source projects for "cheminformatics"

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1

MolecularGraph.jl

Graph-based molecule modeling toolkit for cheminformatics

MolecularGraph.jl is a graph-based molecule modeling and chemoinformatics analysis toolkit fully implemented in Julia.

Downloads: 1 This Week

Last Update: 3 hours ago
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2

luscus

molecular editor and viewer

...The program is developed as a graphical interface for MOLCAS program package, however it's adaptive nature makes possible using luscus with other computational program packages and chemical formats. If you use this program, please cite: G. Kovačević, V. Veryazov, J. Cheminformatics, 7 (2015) 1-10; DOI: 10.1186/s13321-015-0060-z

Downloads: 54 This Week

Last Update: 2025-09-16
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3

JOELib/JOELib2

JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available.

Downloads: 0 This Week

Last Update: 2013-06-04
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4

ChemSharp

This project was inspired existing cheminformatics APIs such as the CDK, Marvin, and Frowns. The goal of the project is to produce a full featured cheminfo api for the .Net framework. Early stage dev will focus on data structures and classes for file io.

Downloads: 0 This Week

Last Update: 2015-12-14
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