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Open Chemistry (OpenChemistry)

Open Chemistry

OpenChemistry

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

Location:Global

Home Page:https://openchemistry.org/

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Open Chemistry's repositories

avogadroapp

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

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avogadrolibs

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

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distiller

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stempy

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

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crystals

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

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stemserver

Server code for 4D STEM visualization and data processing

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avogadro-i18n

Translations for Avogadro app and libraries

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fragments

Molecular fragments and inorganic ligands for rapidly building structures

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openchemistry

Supermodule containing submodules and external project to build all components

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avogadrodata

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

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avogenerators

Python input file generators for Avogadro 2

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molecules

Common molecule fragments for visualization in Avogadro

License:BSD-3-ClauseStargazers:15Issues:0Issues:0

mongochemdeploy

Scripts to install/deploy the MongoChem server/web client

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avogadro-commands

Example default command scripts for Avogadro 2

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avogadro-cclib

Python script plugin to import files through cclib

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tomviz-superbuild

Superbuild to make packaging simpler for Tomviz

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molequeue

Desktop integration of high performance computing resources

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chemicaljson

Development of the Chemical JSON data representation

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materialsdatabank

An information portal for 3D atomic electron tomography data

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tomviz

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

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tomvizdocs

Tomviz documentation hosted on readthedocs.io

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composition-plot

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oc-web-components

Web components supporting the Open Chemistry project

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jupyterlab_cjson

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ParaView

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

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VTK

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

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QtTesting

Copy of QtTesting

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vtkcatalyst

Copy of vtkcatalyst

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VisItBridge

Copy of VisItBridge

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mongochemserver

Server code for MongoChem chemical data

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