CompChem Workbench

A modern workbench for computational chemistry

Build QC inputs, validate geometries, convert formats, and explore membrane free-energy predictions—all in one cohesive workspace. Less setup, more science.

Biasing landscape
Helix flux

Chemistry Tools

Input builders, geometry checks, charge helpers, and format conversion for general chemistry and comp chem students.

Membrane PMF Predictor (Beta)

Coming soon

Upload a membrane protein PDB, select TM regions and CVs, and generate mock PMF curves with interactive plots.