ChemicalX: A Deep Learning Library for Drug Pair Scoring

Published in Proceedings of the 28th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, 2022

Recommended citation: In this paper, we introduce ChemicalX, a PyTorch-based deep learning library designed for providing a range of state of the art models to solve the drug pair scoring task. /files/pdf/research/ChemicalX.pdf