Search Results for "workflow"

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.

Write, test, document, and distribute software packages and technical articles, all in one place, your notebook. Traditional programming environments throw away the result of your exploration in REPLs or notebooks. nbdev makes exploration an integral part of your workflow, all while promoting software engineering best practices.

...Many users integrate PYWAL into their login or wallpaper-change workflows so the desktop “breathes” with whatever image they set. It’s lightweight, fast, and fits perfectly into the r/unixporn workflow of building cohesive, themed desktops.