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Updated README for paper link
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vibudh2209 authored Dec 16, 2019
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# Deep Docking – Accelerate Virtual Screening by 50X

Deep docking (D<sup>2</sup>) is a deep learning-based tool developed to accelerate docking-based virtual screening. In this repository you can find all what you need to screen extra-large chemical libraries such as ZINC15 database (containing >1.3 billion molecules) using your favourite docking program. For further information please refer to our [paper](https://www.google.com/). The dataset used for building the models reported in the paper can be found at this [link](https://drive.google.com/file/d/1w86NqUk7brjDIGCxD65tFLNeQ5IgLeHZ/view?usp=sharing).
Deep docking (D<sup>2</sup>) is a deep learning-based tool developed to accelerate docking-based virtual screening. In this repository you can find all what you need to screen extra-large chemical libraries such as ZINC15 database (containing >1.3 billion molecules) using your favourite docking program. For further information please refer to our [paper](https://www.biorxiv.org/content/10.1101/2019.12.15.877316v1.full.pdf). The dataset used for building the models reported in the paper can be found at this [link](https://drive.google.com/file/d/1w86NqUk7brjDIGCxD65tFLNeQ5IgLeHZ/view?usp=sharing).

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