This is a living document in which I will be updating the projects I am currently involved in.

Due to my PhD thesis, I am mostly concerned with molecular modelling software and the Python language. However, from time to time I also code something using other languages, like JavaScript.

Alpha

These projects are under heavy development, so they might break from time to time as they are improved. Use with care!

  • Tangram: A set of UCSF Chimera extensions for molecular modelling.
  • DMV: An web-based molecule viewer based on NGL for Google products, like Drive or Gmail. Check it at dmv.insilichem.com.
  • fixbibtex: An async script to fix *.bib bibliography entries using the CrossRef API.

Beta

Feel free to use these programs, but please report any problems that you might find. They are feature stable, but some bugs may arise.

  • GaudiMM: A multi-objective optimization platform for molecular modeling and sketching.
  • OMMProtocol. A command-line application for OpenMM.
  • ESIgen. An online supporting information generator for computational chemistry logfiles. Check it at esi.insilichem.com (please wait a few seconds while Heroku boots!).
  • GARLEEK: Extend Gaussian’s ONIOM with Tinker force fields.
  • EasyMECP: MECP calculations with Gaussian as easy as possible.
  • PyChimera: Use UCSF Chimera modules in any Python 2.7 project.

Other projects are also listed in my GitHub profile. I will be updating this post with new information as needed.