210 citations · 509 across the 12 of their papers we have counts for
Showing 2022Show all
3 papers · 1 filter
cs.LG2022
A Roadmap for Big Model
Sha Yuan, Hanyu Zhao, Shuai Zhao +97
With the rapid development of deep learning, training Big Models (BMs) for multiple downstream tasks becomes a popular paradigm. Researchers have achieved various outcomes in the c…
cs.LG2022★ 182 cited
GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation
Minkai Xu, Lantao Yu, Yang Song +3
Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machi…
cs.LG2022★ 32 cited
TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery
Zhaocheng Zhu, Chence Shi, Zuobai Zhang +12
Machine learning has huge potential to revolutionize the field of drug discovery and is attracting increasing attention in recent years. However, lacking domain knowledge (e.g., wh…