High throughput screening with machine learning

no code implementations • 15 Dec 2020 • Oleksandr Gurbych, Maksym Druchok, Dzvenymyra Yarish, Sofiya Garkot

This study assesses the efficiency of several popular machine learning approaches in the prediction of molecular binding affinity: CatBoost, Graph Attention Neural Network, and Bidirectional Encoder Representations from Transformers.

BIG-bench Machine Learning Graph Attention +1