The Synthetic Data Gym (SDGym) is a benchmarking framework for modeling and generating synthetic data. Measure performance and memory usage across different synthetic data modeling techniques – classical statistics, deep learning and more! The SDGym library integrates with the Synthetic Data Vault ecosystem. You can use any of its synthesizers, datasets or metrics for benchmarking. You also customize the process to include your own work. Select any of the publicly available datasets from the...
A Docking Wrapper to Enhance De Novo Molecular Design
...DockStream can also parallelize docking across CPU cores, increasing throughput. DockStream is integrated with the de novo design platform, REINVENT, allowing one to incorporate docking into the generative process, thus providing the agent with 3D structural information.