Selected work
SCIENCE · FREE AND OPEN SOURCE
VERA.
More discovery. Open to everyone.
A desktop native visual workflow platform for computational chemistry and bioinformatics.
The problem
Docking, molecular preparation, dynamics, and analysis live in separate command line tools. Chaining them is slow, hard to reproduce, and closed to people who do not script.
How we approached it
- Modelled each step as a node so a workflow can be built visually and saved.
- Ran heavy computation locally and off the interface thread.
- Released it under the MIT licence so labs can inspect, extend, and reuse it.