Free Energy Perturbation (FEP): Another technique in the drug discovery toolbox
Introduction When I first started using CHARMM over 20 years ago as a PhD student, I regularly came across references ...
We are delighted to announce that an update to our Pipeline Pilot package is released today. This release integrates Blaze, Cresset’s ligand based virtual screening system with Pipeline Pilot, whether you host it yourselves or use our cloud based service.
Cresset’s package for pipeline pilot was first released back in February with the capability to use Cresset’s desktop applications Forge and Spark within a workflow setting. In this release we have extended our offering to include access to our virtual screening platform Blaze. Using the new REST api for Blaze that was released last month we have created a set of pipeline pilot components that enable compound collection upload, molecule searching and result download within a pipeline pilot protocol. These new components work equally well whether you are running your own Blaze server or accessing one of ours using Blaze Cloud.