2 citations · 2 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024
MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis
Shikun Feng, Jiaxin Zheng, Yinjun Jia +4
Molecular representation learning is pivotal for various molecular property prediction tasks related to drug discovery. Robust and accurate benchmarks are essential for refining an…
q-bio.BM2024★ 2 cited
SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction
Yanwen Huang, Bowen Gao, Yinjun Jia +4
Small molecules play a pivotal role in modern medicine, and scrutinizing their interactions with protein targets is essential for the discovery and development of novel, life-savin…