Skip to content

renpj/molscience

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

8 Commits
 
 
 
 

Repository files navigation

molscience

As a theoretical chemist, I use multiple theoretical methods, both quantum machanism based and force field based, such as DFT, molecular dynamics, monte carlo. These methods are implemented by separate softwares. Furthermore, there are amount of tools for modelling, analysis and database. Their functions may overlap, but the quality, licence and user-friendness are quiet different. Find and choose the proper one from them is not easy even for old birds, much less for newbies. This site not only collect the popular molecular simulation softwares, dispersed scripts, websites and related journals, but categorize them, track their updates and join them together.

Features

  • Selective molecular simulation softwares, dispersed scripts, websites and related journals.
  • Intellectual management and upating.
  • Alternative software suggestion.
  • Powered by Django with Python.
  • Flexible Tag support.

TODO Functions

  • Short Term

    • Community support
      • User registeration, verify
      • Item varify
      • django_comments_xtd to styling comments
      • Disquz
      • ResearchGate api
    • Reading support
      • Card view
      • rss feed integrate
      • rss fedd verify
      • keyword filter
  • Long Term * Add wiki-like function: history, auto internal link, auto wiki link; * Tag or category synopsis. * Software citation * use Semantic-UI instead of Bootstrap and Foundation UI * imitate djangosnippets.org

About

Selective molecular simulation stuffs.

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published