Scientific
Catalysis-Hub.Org (Frontend/Architecture)
Catalysis Hub is a React frontend for the Catalysis Hub database. More soon under Catalysis-Hub.org. Documentation at ReadTheDocs. Testing at Travis CI.
kmos
kmos is a python framework suitable for fast setup and evaluation of lattice kinetic Monte Carlo models. It basically allows you develop your model with as little coding a necessary and you can make nice movies, too. Please check out the documentation and the paper (paywall).
Castep ASE Calculator
Readme for ASE Castep calculator
The Castep interface is a python module that was initially developed with Joerg Meyer, who wrote most of the parsing, to leverage the awesome functionalities of the Atomic Simulation Environment with the plane-wave pseudo-potential DFT Code CASTEP. It has been merged into ASE and received maintenance from different people. Secret sauce: keywords are processed from invoking CASTEP binary so the interface can automatically deal with newly implemented features in CASTEP Code.
dbmi
The dbmi module implements the adsorbate-adsorbate interaction framework presented in J. Phys. Chem. C, 2016, 120 (24), pp 13087–13094.
Side Projects
nmrfmo
nmrfmo is a React Native app that summarizes events from over 200 website on a single map.
Made In Democracy
A simple mobile app (source) that let’s you look-up indicators from your phone about the state of democracy, worker’s rights, and freedom of press while shopping.
wikiexplore
wikiexplore is a single-page app that helps exploring one’s geographical environment by leveraging the power of OpenStreetMap and Wikipedia. (Give it a second to load initially.)