User Tools

Site Tools



Here is the list of open source and commercial tools we are using for developing


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


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

  • 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 12:31 by flack