The Material and Process Simulation Center (MSC) at Caltech focuses on developing advanced computational methods to predict materials properties, catalysis, and biochemical systems, enabling innovation across industries like nanotechnology, pharmaceuticals, and energy.
| Repository | Description | Version/License |
|---|---|---|
| DarwinDock | DarwinDock is software for automated small molecule docking to predict protein-ligand binding modes. It employs an efficient sampling and hierarchical scoring workflow, primarily designed for virtual ligand screening (VLS). | (Closed Source) |
| GEnsemble | A tool for predicting transmembrane regions and assembling membrane protein structures. (Archived) | (Closed Source) |
| site | The website for the MSC. |  |
