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credits
Table of Contents
Credits
Cheminformatics
Open Source / Free
Commercial
Web development
IT Infrastructure
Credits
Here is the list of open source and commercial tools we are using for developing mcule.com:
Cheminformatics
Open Source / Free
InChI
- our
Structure Registration System
is based on InChI. We are the member of InChI Trust organization.
OpenBabel
- 2D, 3D structure, property and fingerprint generation.
Indigo
- Fingerprint generation and substructure searching, chemical format conversions.
Chem-fingerprint
- Fast calculation of Tanimoto coefficient.
sc-PDB
- ~10,000 PDB structures prepared for docking (scientific paper can be accessed
here
)
GLmol
- 3D molecular viewer using WebGL and Javascript
Commercial
MChem - our in-house tool. It implements the various structure checks and normalization steps of our
Structure Registration System
ChemWriter
and
ChemVector
developed by
Metamolecular
- Various improvements and customization have been requested and sponsored by mcule.com.
Web development
Python
- Our favorite programming language
Django
- High-level Python Web framework
Mercurial
- Free, distributed source control management tool
Bitbucket
- A free code DVCS hosting site for Git and Mercurial
jQuery
- A fast, concise, cross-browser JavaScript Library
CoffeeScript
- A language that compiles into JavaScript.
Sass
- An extension of CSS3, adding nested rules, variables, mixins, selector inheritance, and more.
Compass
- An open-source
CSS
Authoring Framework. It uses Sass.
virtualenv
- A tool to create isolated Python environments.
virtualenvwrapper
- A set of extensions to virtualenv.
pip
- A tool for installing and managing Python packages.
IT Infrastructure
Amazon Web Services
Softlayer
- Cloud and dedicated servers
PostgreSQL
- A powerful, open source object-relational database system.
Redis
- An open source, advanced key-value store.
Fabric
- A Python library and command-line tool for streamlining the use of SSH for application deployment or systems administration tasks.
Nginx
- An HTTP and reverse proxy server.
Gunicorn
- A Python WSGI HTTP Server for UNIX.
Supervisor
- A system to monitor and control a number of processes on UNIX-like operating systems.
Celery
- Distributed Task Queue
Munin
- Munin is a networked resource monitoring tool.
credits.txt
· Last modified: 2019/08/05 14:31 by
flack
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