1 code implementation • 17 Jul 2023 • Wei Chen, Yihui Ren, Ai Kagawa, Matthew R. Carbone, Samuel Yen-Chi Chen, Xiaohui Qu, Shinjae Yoo, Austin Clyde, Arvind Ramanathan, Rick L. Stevens, Hubertus J. J. van Dam, Deyu Lu
With this dataset, we trained graph neural fingerprint docking models for high-throughput virtual COVID-19 drug screening.
no code implementations • ICML 2017 • Jonathan Eckstein, Noam Goldberg, Ai Kagawa
We describe a learning procedure enhancing L1-penalized regression by adding dynamically generated rules describing multidimensional “box” sets.