ICML is one of the largest machine learning conferences and, like many other conferences this year, is running virtually from 12th – 18th July.<\/p>\n\n\n\n
The list of accepted papers can be found here<\/a>, with 1,088 papers accepted out of 4,990 submissions (22% acceptance rate). Similar to my post on NeurIPS 2019 papers<\/a>, I will highlight several of potential interest to the chem-\/bio-informatics communities. As before, given the large number of papers, these were selected either by “accident” (i.e. I stumbled across them in one way or another) or through a basic search (e.g. Ctrl+f “molecule”).<\/p>\n\n\n\n\n\n\n\n In addition to the various papers, there is also a computational biology workshop<\/a> (workshop site<\/a>)<\/p>\n\n\n\n\n\n I hope this list is fairly exhaustive, but no doubt I will have missed several. Please feel free to leave a comment and I will update the post accordingly. And now, without further ado, are the papers.<\/p>\n\n\n\n Title:<\/strong> Improving Molecular Design by Stochastic Iterative Target Augmentation Title:<\/strong> Hierarchical Generation of Molecular Graphs using Structural Motifs Title:<\/strong> Composing Molecules with Multiple Property Constraints Title:<\/strong> A Generative Model for Molecular Distance Geometry Title:<\/strong> Reinforcement Learning for Molecular Design Guided by Quantum Mechanics Title:<\/strong> Learning to Navigate in Synthetically Accessible Chemical Space Using Reinforcement Learning Title:<\/strong> Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search Title:<\/strong> A Graph to Graphs Framework for Retrosynthesis Prediction
Authors:<\/strong> Kevin Yang, Wengong Jin, Kyle Swanson, Regina Barzilay, Tommi Jaakkola
Preprint: <\/strong>https:\/\/arxiv.org\/abs\/2002.04720<\/a><\/p>\n\n\n\n
Authors:<\/strong> Wengong Jin, Regina Barzilay, Tommi Jaakkola
Preprint:<\/strong> https:\/\/arxiv.org\/abs\/2002.03230<\/a><\/p>\n\n\n\n
Authors:<\/strong> Wengong Jin, Regina Barzilay, Tommi Jaakkola
Preprint:<\/strong> https:\/\/arxiv.org\/abs\/2002.03244<\/a><\/p>\n\n\n\n
Authors:<\/strong> Gregor Simm, Jose Miguel Hernandez-Lobato
Preprint:<\/strong> https:\/\/arxiv.org\/abs\/1909.11459<\/a><\/p>\n\n\n\n
Authors: <\/strong>Gregor Simm, Robert Pinsler, Jose Miguel Hernandez-Lobato
Preprint:<\/strong> https:\/\/arxiv.org\/abs\/2002.07717<\/a><\/p>\n\n\n\n
Authors: <\/strong>Sai Krishna Gottipati, Boris Sattarov, Sufeng Niu, Haoran Wei, Yashaswi Pathak, Shengchao Liu, Shengchao Liu, Simon Blackburn, Karam Thomas, Connor Coley, Jian Tang, Sarath Chandar, Yoshua Bengio
Preprint:<\/strong> https:\/\/arxiv.org\/abs\/2004.12485<\/a><\/p>\n\n\n\n
Authors:<\/strong> Binghong Chen, Chengtao Li, Hanjun Dai, Le Song
Preprint:<\/strong> https:\/\/arxiv.org\/abs\/2006.15820<\/a><\/p>\n\n\n\n
Authors: <\/strong>Chence Shi, Minkai Xu, Hongyu Guo, Ming Zhang, Jian Tang
Preprint:<\/strong> https:\/\/arxiv.org\/abs\/2003.12725<\/a><\/p>\n\n\n\n