====== Credits ====== Here is the list of open source and commercial tools we are using for developing mcule.com: ====== Cheminformatics ====== ==== Open Source / Free ==== * [[http://www.inchi-trust.org/|InChI]] - our [[regsys|Structure Registration System]] is based on InChI. We are the member of InChI Trust organization. * [[http://openbabel.org|OpenBabel]] - 2D, 3D structure, property and fingerprint generation. * [[https://github.com/epam/Indigo|Indigo]] - Fingerprint generation and substructure searching, chemical format conversions. * [[http://code.google.com/p/chem-fingerprints/|Chem-fingerprint]] - Fast calculation of Tanimoto coefficient. * [[http://bioinfo-pharma.u-strasbg.fr/scPDB|sc-PDB]] - ~10,000 PDB structures prepared for docking (scientific paper can be accessed [[http://www.ncbi.nlm.nih.gov/pubmed/21398668|here]]) * [[http://webglmol.sourceforge.jp/index-en.html|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 [[regsys|Structure Registration System]] * [[http://metamolecular.com/chemwriter/|ChemWriter]] and [[http://metamolecular.com/chemvector/|ChemVector]] developed by [[http://metamolecular.com/|Metamolecular]] - Various improvements and customization have been requested and sponsored by mcule.com. ====== Web development ===== * [[http://python.org/|Python]] - Our favorite programming language * [[https://www.djangoproject.com/|Django]] - High-level Python Web framework * [[http://mercurial.selenic.com/|Mercurial]] - Free, distributed source control management tool * [[https://bitbucket.org/|Bitbucket]] - A free code DVCS hosting site for Git and Mercurial * [[http://jquery.com/|jQuery]] - A fast, concise, cross-browser JavaScript Library * [[http://coffeescript.org/|CoffeeScript]] - A language that compiles into JavaScript. * [[http://sass-lang.com/|Sass]] - An extension of CSS3, adding nested rules, variables, mixins, selector inheritance, and more. * [[http://compass-style.org/|Compass]] - An open-source CSS Authoring Framework. It uses Sass. * [[http://www.virtualenv.org|virtualenv]] - A tool to create isolated Python environments. * [[http://www.doughellmann.com/projects/virtualenvwrapper/|virtualenvwrapper]] - A set of extensions to virtualenv. * [[http://www.pip-installer.org/en/latest/index.html|pip]] - A tool for installing and managing Python packages. ====== IT Infrastructure ====== * [[http://aws.amazon.com/|Amazon Web Services]] * [[http://www.softlayer.com/|Softlayer]] - Cloud and dedicated servers * [[http://www.postgresql.org/|PostgreSQL]] - A powerful, open source object-relational database system. * [[http://redis.io/|Redis]] - An open source, advanced key-value store. * [[http://fabfile.org/|Fabric]] - A Python library and command-line tool for streamlining the use of SSH for application deployment or systems administration tasks. * [[http://nginx.org/|Nginx]] - An HTTP and reverse proxy server. * [[http://gunicorn.org/|Gunicorn]] - A Python WSGI HTTP Server for UNIX. * [[http://supervisord.org/|Supervisor]] - A system to monitor and control a number of processes on UNIX-like operating systems. * [[http://celeryproject.org/|Celery]] - Distributed Task Queue * [[http://munin-monitoring.org/|Munin]] - Munin is a networked resource monitoring tool.