New Platform: High-Performance Computing with HPSee


New Platform: High-Performance Computing with HPSee

May 13, 2024 23:00 CEST

We are excited to announce the release of BioSolveIT’s third platform — HPSee!

HPSee is your scalable workflow environment for high-performance computing and virtual screening. It was developed to facilitate and enable large-scale computations such as structure-based virtual screening in a sophisticated and efficient manner.


The initial version 1.0, named ‘Maia’ after the oldest sister of the Pleiades, facilitates the docking of large molecule sets in an *.sdf format. After setting up your target structure in SeeSAR, you can conveniently select a libary for docking in the new Remote Docking Mode and start your run. The task is then send to your dedicated hardware running HPSee that processes the pose generation and scoring extremely fast. Once the docking task has finished, you can convently access the results in SeeSAR’s graphical interface for subsequent assessment.

HPSee can be installed on hardware dedicated to host the calculations and processing.

Read more about HPSee 1.0 ‘Maia’ following this link.