Zero-shot 3d drug design by sketching and generating

S Long, Y Zhou, X Dai, H Zhou - Advances in Neural …, 2022 - proceedings.neurips.cc
Drug design is a crucial step in the drug discovery cycle. Recently, various deep learning-
based methods design drugs by generating novel molecules from scratch, avoiding …

Cab: comprehensive attention benchmarking on long sequence modeling

J Zhang, S Jiang, J Feng, L Zheng… - … on Machine Learning, 2023 - proceedings.mlr.press
Transformer has achieved remarkable success in language, image, and speech processing.
Recently, various efficient attention architectures have been proposed to improve …

Deep neural networks for knowledge-enhanced molecular modeling

S Long, J Wu, Y Zhou, F Sha, X Dai - Neurocomputing, 2025 - Elsevier
Designing neural networks for molecular modeling is a crucial task in the field of artificial
intelligence. The goal is to utilize neural networks to understand and design molecules …