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Maintained collection of resources for ultralarge virtual screening (VS), including ultra-large libraries, repositories of screening software, pre-prepared libraries and benchmarking datasets

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ultralarge-VS

Maintained collection of resources for ultralarge virtual screening (VS), including ultra-large libraries, repositories of screening software, pre-prepared libraries and benchmarking datasets.

These are online versions of selected tables from our book chapter 'Ultra-Large-Scale Virtual Screening' in the upcoming book 'Computer-Aided and Machine Learning-Driven Drug Design - From Theory to Applications', that receive regular updates of the contents.

Reference of the book chapter

Pöhner I, Sivula T & Poso A. Chapter 11 - Ultra-large-scale Virtual Screening. In: Computer-Aided and Machine Learning-Driven Drug Design: From Theory to Applications. Ed. Maltarollo VG. ISBN978-3-031-76717-3.

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Maintained collection of resources for ultralarge virtual screening (VS), including ultra-large libraries, repositories of screening software, pre-prepared libraries and benchmarking datasets

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