Open Chemistry (@OpenChemistry)
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OpenChemistry

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Top repositories

1

avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
C++
430
star
2

tomviz

Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data
C++
317
star
3

avogadroapp

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
C++
181
star
4

openchemistry

Supermodule containing submodules and external project to build all components
CMake
80
star
5

chemicaljson

Development of the Chemical JSON data representation
Python
60
star
6

molequeue

Desktop integration of high performance computing resources
C++
25
star
7

stempy

Toolkit for 4D STEM processing on HPC using a Python interface and C++ engine. https://stempy.readthedocs.io/
C++
21
star
8

mongochem

Qt MongoDB desktop cheminformatics application - this project is no longer active
C++
15
star
9

crystals

Crystallographic files of common materials, elements, oxides, for visualization in Avogadro
15
star
10

molecules

Common molecule fragments for visualization in Avogadro
15
star
11

mongochemserver

Server code for MongoChem chemical data
Python
15
star
12

tomviz-superbuild

Superbuild to make packaging simpler for Tomviz
Shell
11
star
13

avogenerators

Python input file generators for Avogadro 2
Python
11
star
14

mongochemclient

Web client code for the MongoChem project
JavaScript
9
star
15

jupyter-examples

Provide some example JupyterLab notebooks showing off independent Open Chemistry components
Jupyter Notebook
9
star
16

oc-web-components

Web components supporting the Open Chemistry project
JavaScript
8
star
17

openchemistrypy

Python
7
star
18

materialsdatabank

An information portal for 3D atomic electron tomography data
JavaScript
7
star
19

mongochemdeploy

Scripts to install/deploy the MongoChem server/web client
Python
7
star
20

openqube

C++
6
star
21

fragments

Molecular fragments and inorganic ligands for rapidly building structures
Python
6
star
22

oremda

Open Reproducible Electron Microscopy Data Analysis
Python
5
star
23

protocall

C++
5
star
24

distiller

Python
4
star
25

avogadrodata

Repository for support data used by the Open Chemistry projects (including Avogadro 2)
Shell
4
star
26

jupyterlab_cjson

JavaScript
3
star
27

tomvizdocs

Tomviz documentation hosted on readthedocs.io
3
star
28

avogadro-ugm2018

Materials for the 2018 Avogadro Users Group Meeting
Python
2
star
29

certbot-rancher

Images to use certbot in Rancher environment without elevated privileges.
Shell
2
star
30

avogadro-commands

Example default command scripts for Avogadro 2
Python
2
star
31

avogadro-cclib

Python script plugin to import files through cclib
Python
1
star
32

tomviztutorial

Tutorial slides on the use of Tomviz
JavaScript
1
star
33

composition-plot

TypeScript
1
star
34

edp

A platform for the ingestion and management of experimental data.
JavaScript
1
star
35

tomvizweb

Tomviz web code supporting the Tomviz desktop application for web export of data
JavaScript
1
star
36

avogadro-i18n

Translations for Avogadro app and libraries
1
star
37

stemserver

Server code for 4D STEM visualization and data processing
Python
1
star
38

VisItBridge

Copy of VisItBridge
C
1
star