I am very happy to share our new paper GENEOnet: a breakthrough in protein binding pocket detection using group equivariant non-expansive operators has just been published in Scientific Reports 🎉🎉.
A big thank you to everyone who worked hard to make this work successful.
In this paper, we introduce our xAI model called GENEOnet for predicting protein pockets. We present the model that was built using GENEOs, explain its training procedure, and evaluate it from the perspective of various metrics. We also present a case study of its application to the recognition of pockets in various structures of the ABL1 kinase.