59 citations · 211 across the 39 of their papers we have counts for
4 papers · 1 filter
Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editing
Shengchao Liu, Weili Nie, Chengpeng Wang +6
There is increasing adoption of artificial intelligence in drug discovery. However, existing studies use machine learning to mainly utilize the chemical structures of molecules but…
Protein Sequence and Structure Co-Design with Equivariant Translation
Chence Shi, Chuanrui Wang, Jiarui Lu +2
Proteins are macromolecules that perform essential functions in all living organisms. Designing novel proteins with specific structures and desired functions has been a long-standi…
PEER: A Comprehensive and Multi-Task Benchmark for Protein Sequence Understanding
Minghao Xu, Zuobai Zhang, Jiarui Lu +5
We are now witnessing significant progress of deep learning methods in a variety of tasks (or datasets) of proteins. However, there is a lack of a standard benchmark to evaluate th…
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…