5 code implementations • 2 Mar 2017 • Zhenqin Wu, Bharath Ramsundar, Evan N. Feinberg, Joseph Gomes, Caleb Geniesse, Aneesh S. Pappu, Karl Leswing, Vijay Pande
However, algorithmic progress has been limited due to the lack of a standard benchmark to compare the efficacy of proposed methods; most new algorithms are benchmarked on different datasets making it challenging to gauge the quality of proposed methods.
no code implementations • 10 Nov 2016 • Han Altae-Tran, Bharath Ramsundar, Aneesh S. Pappu, Vijay Pande
Recent advances in machine learning have made significant contributions to drug discovery.
Ranked #2 on Molecular Property Prediction on Tox21