About Us
Based in the School of Pharmacy at the University of Nottingham, we develop software for biomolecular simulation.
Our aim is to make it easy for researchers to access powerful computational resources, and make the best possible use of them.
We don't just develop software, we use it - as part of multidisciplinary research projects in drug design and formulation development.
Software
Our software is targetted at computational scientists, not computer scientists. We aim for simplicity of installation and use, and shallow learning curves.
PyPcazip
Principal component analysis for MD data
Crossbow
Adaptively-scaling compute clusters in the cloud
Crossflow
Molecular modelling workflows for distributed resources.
CoCo
The Complementary Coordinates method for enhanced sampling.
Tios
The Internet of Things for biomolecular simulations.
Pinda
Containerized tools for biomolecular simulation.
EcPc
A simple tool for launching and managing AWS instances.
Longbow
Remote job submission to HPC services.
MDPlus
A collection of Python utilities for biomolecular simulation data.
Collaborations
some of our key collaborations:
Funders
We gratefully acknowledge our current and recent funders:
Contact details
If you would like to know more about our research or software development activities, please get in touch.