no code implementations • 10 Sep 2021 • Austin Clyde, Ashka Shah, Max Zvyagin, Arvind Ramanathan, Rick Stevens
Scaffold based drug discovery (SBDD) is a technique for drug discovery which pins chemical scaffolds as the framework of design.
1 code implementation • 29 Aug 2021 • Max Zvyagin, Thomas Brettin, Arvind Ramanathan, Sumit Kumar Jha
Currently, our ability to build standardized deep learning models is limited by the availability of a suite of neural network and corresponding training hyperparameter benchmarks that expose differences between existing deep learning frameworks.