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<title><a href="https://chirag126.github.io/">Chirag Agarwal</a> - Zitnik Lab</title>
<title>SPECTRA - Generalizability of Molecular AI - Zitnik Lab</title>
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<p class="title is-2"><a href="https://chirag126.github.io/">Chirag Agarwal</a></p>
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<p>Published: Feb 28, 2024</p>

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<p class="title is-3"><a href="https://chirag126.github.io/">Chirag Agarwal</a></p>
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<p class="title is-4">Description</p>
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<p><a href="https://www.biorxiv.org/content/10.1101/2024.02.25.581982v1">SPECTRA is an approach for holistic evaluation of how AI models</a> generalize to new molecular datasets. <a href="https://zitniklab.hms.harvard.edu/projects/SPECTRA/">Project website.</a></p>

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<head>
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<meta name="viewport" content="width=device-width, initial-scale=1">
<title><a href="http://www.xiangzhang.info">Xiang Zhang</a> - Zitnik Lab</title>
<title>PocketGen - Generating Full-Atom Ligand-Binding Protein Pockets - Zitnik Lab</title>
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<p class="title is-2"><a href="http://www.xiangzhang.info">Xiang Zhang</a></p>
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<!-- <p>Published: Mar 1, 2024 by </p>-->
<p>Published: Mar 1, 2024</p>

<div class="column is-6">
<p class="title is-3"><a href="http://www.xiangzhang.info">Xiang Zhang</a></p>
<p class="subtitle is-3">Assistant Professor<br/>UNC Charlotte<br/></p>
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<div class="column is-12">
<p class="title is-4">Description</p>
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<p><a href="https://www.biorxiv.org/content/10.1101/2024.02.25.581968">PocketGen is a deep generative model</a> that generates residue sequence and full-atom structure of protein pockets, maximizing binding to ligands. <a href="https://zitniklab.hms.harvard.edu/projects/PocketGen/">Project website.</a></p>

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<!-- <a class="card-header-title" href="/2024/03/01/PocketGen/">PocketGen - Generating Full-Atom Ligand-Binding Protein Pockets</a>-->
<p class="card-header-title">Mar 2024: &nbsp; <span class="has-text-primary">PocketGen - Generating Full-Atom Ligand-Binding Protein Pockets</span></p>
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</p>-->
<p><a href="https://www.biorxiv.org/content/10.1101/2024.02.25.581968">PocketGen is a deep generative model</a> that generates residue sequence and full-atom structure of protein pockets, maximizing binding to ligands. <a href="https://zitniklab.hms.harvard.edu/projects/PocketGen/">Project website.</a></p>

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<p class="card-header-title">Feb 2024: &nbsp; <span class="has-text-primary">SPECTRA - Generalizability of Molecular AI</span></p>
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</p>-->
<p><a href="https://www.biorxiv.org/content/10.1101/2024.02.25.581982v1">SPECTRA is an approach for holistic evaluation of how AI models</a> generalize to new molecular datasets. <a href="https://zitniklab.hms.harvard.edu/projects/SPECTRA/">Project website.</a></p>

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<!-- <a class="card-header-title" href="/2023/04/03/MultimodalGraphLearning-NatMachIntelligence/">New Study in Nature Machine Intelligence</a>-->
<p class="card-header-title">Apr 2023: &nbsp; <span class="has-text-primary">New Study in Nature Machine Intelligence</span></p>
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<!-- <p><p>New paper in Nature Machine Intelligence introducing the <a href="https://www.nature.com/articles/s42256-023-00624-6">blueprint for multimodal learning with graphs</a>.</p>
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<p>New paper in Nature Machine Intelligence introducing the <a href="https://www.nature.com/articles/s42256-023-00624-6">blueprint for multimodal learning with graphs</a>.</p>


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<!-- <a class="card-header-title" href="/2023/03/23/PrecisionHealthDeepSpace-NatMachIntelligence/">Precision Health in Nature Machine Intelligence</a>-->
<p class="card-header-title">Mar 2023: &nbsp; <span class="has-text-primary">Precision Health in Nature Machine Intelligence</span></p>
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<!-- <p><p>New paper with NASA in Nature Machine Intelligence on <a href="https://www.nature.com/articles/s42256-023-00617-5">biomonitoring and precision health in deep space supported by artificial intelligence</a>.</p>
</p>-->
<p>New paper with NASA in Nature Machine Intelligence on <a href="https://www.nature.com/articles/s42256-023-00617-5">biomonitoring and precision health in deep space supported by artificial intelligence</a>.</p>


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