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DockStream is a docking wrapper providing access to a collection of ligand embedders and docking backends. Docking execution and post hoc analysis can be automated via the benchmarking and analysis workflow. The flexilibity to specifiy a large variety of docking configurations allows tailored protocols for diverse end applications. 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.

This package is aimed at streamlining the process of managing and creating new Jekyll posts. It does this by providing quick and easy access to new post and draft commands, snippets and completions for Liquid template tags and filters, as well as some handy commands for adding dates and upload links to your posts.