532141 Moleculenet: A Benchmark for Molecular Machine Learning

Zhenqin Wu1, Bharath Ramsundar2, Joseph S. Gomes3, Evan N. Feinberg4, Caleb Geniesse4, Aneesh S. Pappu2, Karl Leswing5 and Vijay Pande3, (1)Department of Chemistry, Stanford University, Stanford, CA, (2)Department of Computer Science, Stanford University, Stanford, CA, (3)Department of Bioengineering, Stanford University, Stanford, CA, (4)Program in Biophysics, Stanford School of Medicine, Stanford, CA, (5)Schrodinger Inc., New York City, NY
See more of this Session: Data Mining and Machine Learning in Molecular Sciences II
See more of this Group/Topical: Computational Molecular Science and Engineering Forum