Open Chemistry

OpenChemistry

Permissively licensed cross-platform tools that provide applications for computational chemistry, materials science, and related areas.

Global

https://openchemistry.org/

Open Chemistry's repositories

avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

Language:C++BSD-3-Clause402 28 459

tomviz

Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data

Language:C++BSD-3-Clause317 36 869

avogadroapp

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

Language:C++BSD-3-Clause169 16 83

openchemistry

Supermodule containing submodules and external project to build all components

Language:CMakeBSD-3-Clause78 13 15

chemicaljson

Development of the Chemical JSON data representation

Language:Python60 17 9

molequeue

Desktop integration of high performance computing resources

Language:C++BSD-3-Clause25 7 10

stempy

Toolkit for 4D STEM processing on HPC using a Python interface and C++ engine. https://stempy.readthedocs.io/

Language:C++BSD-3-Clause20 7 99

mongochemserver

Server code for MongoChem chemical data

Language:PythonBSD-3-Clause15 7 25

molecules

Common molecule fragments for visualization in Avogadro

BSD-3-Clause14 4 2

crystals

Crystallographic files of common materials, elements, oxides, for visualization in Avogadro

tomviz-superbuild

Superbuild to make packaging simpler for Tomviz

Language:ShellBSD-3-Clause11 9 43

avogenerators

Python input file generators for Avogadro 2

Language:PythonNOASSERTION10 3 6

oc-web-components

Web components supporting the Open Chemistry project

Language:JavaScriptBSD-3-Clause8 5 8

materialsdatabank

An information portal for 3D atomic electron tomography data

Language:JavaScriptBSD-3-Clause7 6 36

mongochemdeploy

Scripts to install/deploy the MongoChem server/web client

Language:PythonBSD-3-Clause7 6 15

oremda

Open Reproducible Electron Microscopy Data Analysis

Language:PythonBSD-3-Clause5 4 9

avogadrodata

Repository for support data used by the Open Chemistry projects (including Avogadro 2)

Language:Shell4 60

fragments

Molecular fragments and inorganic ligands for rapidly building structures

Language:PythonBSD-3-Clause3 5 8

jupyterlab_cjson

Language:JavaScript3 5 11

tomvizdocs

Tomviz documentation hosted on readthedocs.io

3 90

avogadro-commands

Example default command scripts for Avogadro 2

Language:PythonBSD-3-Clause2 30

distiller

Language:PythonBSD-3-Clause2 4 70

avogadro-cclib

Python script plugin to import files through cclib

Language:PythonBSD-3-Clause1 60

avogadro-i18n

Translations for Avogadro app and libraries

BSD-3-Clause1 40

composition-plot

Language:TypeScriptBSD-3-Clause1 30

ParaView

Local patches/updates necessary for Tomviz, no development, just staging for releases, and local tags

Language:C++NOASSERTION1 40

VisItBridge

Copy of VisItBridge

Language:CBSD-3-Clause1 50

QtTesting

Copy of QtTesting

Language:C++NOASSERTION050

VTK

Local patches/updates necessary for Tomviz, no development, just staging for releases, and local tags

Language:C++NOASSERTION040

vtkcatalyst

Copy of vtkcatalyst

Language:C++NOASSERTION050