Quick and easy deployment of bespoke, personal, compute clusters in the cloud.
A simple Python toolkit for building and running workflows on distributed computing facilities.
A toolkit for analysing, mining, and validating MD simulation data by Principal Component Analysis.
The "Complementary Coordinates" method for enhanced sampling of molecular conformations.
The Internet of Things for biomolecular simulation: remote control and sampling of MD simulations.
A collection of easy to install, containerized versions of popular molecular modelling applications.
A simple tool to launch and manage cloud computing instances on Amazon Web Services.
Making it as easy to use high performance computing centres as to run simulations on local resources.