
SeeSAR & HPSee
Run C-S-D interactively from the SeeSAR interface. Define the binding site, set pharmacophore constraints, and inspect and pick poses visually at every stage, while HPSee orchestrates the remote compute in the background.
Best for: Medicinal and computational chemists who want to stay hands-on and in full visual control.
HPSee & Python (e.g., Jupyter)
Drive C-S-D from Python and fold it into your own pipelines. Start workflows and pull results through the HPSee API, combine them with your own scripts and libraries, while HPSee still orchestrates the remote compute.
Best for: Computational scientists who want automation without managing the full infrastructure.
Command Line Tools
Run C-S-D from the command line using standalone executables. The tools run natively on your own cluster, workstations, or HPC scheduler, so you keep full control over orchestration and parallelization, with no HPSee required.
Best for: Advanced teams that run their own infrastructure and want C-S-D in existing pipelines.