The ExCAPE (Exascale Compound Activity Prediction Engines) aims at producing state-of-the-art scalable machine learning algorithms and implementation suitable for future Exascale machines (1e18 FLOPs) for predicting compound bioactivity.

The project is part of the H2020 European Initiative, the biggest EU Research and Innovation programme ever with nearly €80 billion of funding available over 7 years (2014 to 2020).

The RHUL team contribute in the area of Uncertainty Quantification with their expertise in Conformal Prediction and Venn-Abers Prediction.