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avogadro

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 rendering and a powerful plugin architecture.

avogadro-packmol-extension

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

avogadro-scripts

avogadro python scripts

chembrowser

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

computergraphics

gameoflifegui

A graphical user interface for Conway's game of life

helium

A lightweight generic cheminformatics toolkit

jchemhub

Try out the demo:

jsdoc-toolkit

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 JavaScript source code.

kitimar

C++20 Cheminformatics Experiments

molcoresandbox

Repository for working out MolCore subprojects

moldb

A molecular database library

molsketch

Molsketch 2D molecular editor

msvc-dependencies

3rd party dependencies for building Open Babel with MSVC

obdepict

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

obforcefield

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

openbabel

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

openbabel-emolecules

openbabel-razinger

openchemicalgraphlibrary

Open Chemical Graph Library

opensmarts

Open Standard for the SMARTS chemical query language (Extends OpenSMILES)

opensmiles

The OpenSMILES specification

pregolya

Graph library for molecular graphs

qwt

CMake build files for qwt (Qt graph library)

smartscompiler

A SMARTS optimizer/compiler

smiley

An OpenSMILES compliant C++ SMILES/SMARTS parser

timvdm.github.com

Tim's user pages

ugm_2023

Materials from the 2023 RDKit UGM