Development

Blue Obelisk

iki.cubic.uni-koeln.de

A group of chemists/programmers/informaticians who advocate the use of open source, open standards, and open data. Site includes a wiki, an algorithm dictionary, and a data reposit…

46 visits May 30, 2024 Details

CACTVS System

2.chemie.uni-erlangen.de

A distributed client/server system for the computation, management, analysis and visualization of chemical information of any type. Tool collection for several Unix flavors; some o…

372 visits Feb 28, 2024 Details

Frowns

frowns.sourceforge.net

Free chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. Written in Python with a small portion written in C++.

109 visits Apr 28, 2025 Details

JChem

jchem.com

A Java based development tool for building portable chemical information systems.

232 visits Apr 30, 2025 Details

JOELib

-ra.informatik.uni-tuebingen.de

Free Java computational chemistry library with support for file conversion, SMARTS substructure search, QSAR descriptor calculation, and process/filter methods for molecular data s…

62 visits Jan 6, 2024 Details

Jumbo

mm.ch.cam.ac.uk

Free kit for processing XML+CML in chemistry. Java 1.4 code, XSLT stylesheets, legacy converters and tools. Also includes tools for generating C++, Python and some F90/5 from the s…

134 visits Nov 23, 2024 Details