Zhenqin Wu
- MoleculeNet: A Benchmark for Molecular Machine Learning
2017/03/02 by Zhenqin Wu, Bharath Ramsundar, Wu, Zhenqin +13 · 184 citations
Materials Science · Computer Science · Chemistry · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Mass Spectrometry Techniques and Applications
- PotentialNet for Molecular Property Prediction
2018/03/12 by Evan N. Feinberg, Feinberg, Evan N., Debnil Sur +17 · 7 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics