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++
450
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
63
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++
22
star
8

crystals

Crystallographic files of common materials, elements, oxides, for visualization in Avogadro
16
star
9

mongochem

Qt MongoDB desktop cheminformatics application - this project is no longer active
C++
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
10
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

certbot-rancher

Images to use certbot in Rancher environment without elevated privileges.
Shell
3
star
27

jupyterlab_cjson

JavaScript
3
star
28

tomvizdocs

Tomviz documentation hosted on readthedocs.io
3
star
29

avogadro-ugm2018

Materials for the 2018 Avogadro Users Group Meeting
Python
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