Showing 2 open source projects for "structural software"

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    DockStream

    DockStream

    A Docking Wrapper to Enhance De Novo Molecular Design

    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...
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    Python Patterns

    Python Patterns

    A collection of design patterns/idioms in Python

    Python-Patterns is a repository collecting implementations of many classical design patterns and idioms, written in Python. It serves as an educational resource: showing how to implement creational, structural, behavioral, testability, and other patterns in a Pythonic style (or sometimes less so), illustrating trade-offs, different styles, and use cases. It’s intended for learners or developers interested in software architecture or design, rather than as a production library. Includes pattern examples for testability, delegation, flyweight, proxy, etc., plus patterns outside the classical set (registry, specification, etc.) ...
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