C++20 Cheminformatics Experiments

Repository for working out MolCore subprojects

Tim's user pages

JsDoc Toolkit is an application, written in JavaScript, for automatically generating template-formatted, multi-page HTML (or XML, JSON, or any other text-based) documentation from commented JavaScr…

Try out the demo:

Now renamed as Kemia

An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.

Updated mirror of OpenBabel SVN repo

A file manager for 2D/3D chemistry data.

new set of force field classes for OpenBabel (very experimental)

Molsketch 2D molecular editor

2D molecule depiction using openbabel and various image/graphics API's (currently ImageMagick++, Cairo & Qt4)

A unit test suite for OpenBabel

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible ren…

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

avogadro python scripts

Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an a…