ExCAPE is European funded project that harvests the power of supercomputers to speed up drug discovery using machine learning.

Exascale computing will provide vast amounts of computing power. A relatively new purpose for this resource is to use it to apply large scale machine learning to hard prediction problems such as pharmaceutical compound activity description.

In this project we will investigate how best to use extreme scale machines to tackle this challenge, dealing with aspects such as algorithm design, software development and testing on realistic industrial data sets using supercomputers. As such this project bridges HPC and Big Data challenges, concerning the calculation of complex empirically driven models on large data sets.