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README.md

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# DENOPTIM
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![Anaconda_Platforms](https://anaconda.org/denoptim-project/denoptim/badges/platforms.svg) ![Anaconda_License](https://anaconda.org/denoptim-project/denoptim/badges/license.svg) ![Anaconda_Version](https://anaconda.org/denoptim-project/denoptim/badges/version.svg) ![Anaconda_last](
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https://anaconda.org/denoptim-project/denoptim/badges/latest_release_date.svg) ![Anaconda_Installer](https://anaconda.org/denoptim-project/denoptim/badges/installer/conda.svg) ![Anaconda_Downloads](https://anaconda.org/denoptim-project/denoptim/badges/downloads.svg)
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![Anaconda_Platforms](https://anaconda.org/conda-forge/denoptim/badges/platforms.svg) ![Anaconda_License](https://anaconda.org/conda-forge/denoptim/badges/license.svg) ![Anaconda_Version](https://anaconda.org/conda-forge/denoptim/badges/version.svg) ![Anaconda_last](https://anaconda.org/conda-forge/denoptim/badges/latest_release_date.svg) ![Anaconda_Downloads](https://anaconda.org/conda-forge/denoptim/badges/downloads.svg)
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## Introduction
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DENOPTIM (De Novo OPTimization of In/organic Molecules) is a software meant for <i>de novo</i> design and virtual screening of functional compounds. In practice, DENOPTIM builds chemical entities by assembling building blocks (i.e., fragments), analyzes each chemical entity as to produce its figure of merit (i.e., fitness), and designs new entities based on the properties of known entities.
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![Figure 1](./doc/figures/gui_snapshots.png)
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## Installation
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You can either get latest version of DENOPTIM from the <a href="https://repo.anaconda.com/">Anaconda repository</a>, or you can built DENOPTIM from source code.
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You can either get latest version of DENOPTIM from the [conda-forge](https://anaconda.org/conda-forge/denoptim), or our [own denoptim-project Anaconda channel](https://anaconda.org/denoptim-project/denoptim). Alternatively, you can built DENOPTIM from source, see below.
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### Install From Conda (recommended)
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