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<!DOCTYPE html>
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<title>Pablo Lemos — Machine Learning Research Scientist</title>
<meta name="description" content="Pablo Lemos is a Senior Principal Scientist at Johnson & Johnson working on machine learning for the life sciences. Prior work includes SandboxAQ (SAIR dataset), Mila (GFlowNets), and cosmology (DES, Planck).">
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<p class="eyebrow">Machine Learning Research Scientist</p>
<h1>Pablo Lemos</h1>
<p class="lede">Generative machine learning and sampling algorithms — from the cosmos to the cell.</p>
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<a class="btn btn-primary" href="#projects">Featured projects</a>
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<h2 class="section-heading">About</h2>
<p>I'm a Senior Principal Scientist at <a href="https://www.jnj.com">Johnson & Johnson</a>, working on machine learning for the life sciences.</p>
<p>Previously, I was a research scientist at <a href="https://www.sandboxaq.com">SandboxAQ</a>, where I led the release of <a href="https://www.sandboxaq.com/press/sandboxaq-unveils-sair-structurally-augmented-ic50-repository-a-novel-open-dataset-of-protein-ligand-structures-labelled-by-binding-affinities">SAIR</a> — the largest publicly available dataset of protein–ligand structures — and worked on protein folding.</p>
<p>Before that, I worked on structure-based protein design at <a href="https://www.dreamfold.ai">Dreamfold</a>, and was a postdoctoral researcher at <a href="https://mila.quebec/en">Mila</a>, focused on GFlowNets and other generative ML methods.</p>
<p>My earlier career was in astrophysics. I received my Ph.D. from the <a href="https://www.cam.ac.uk">University of Cambridge</a>, co-led the accelerated forward modelling group at the Simons Collaboration in <a href="https://www.learning-the-universe.org">Learning the Universe</a>, and contributed to the cosmological analyses of the <a href="https://www.darkenergysurvey.org">Dark Energy Survey</a> and the <a href="https://www.cosmos.esa.int/web/planck/planck-collaboration">Planck Collaboration</a>.</p>
<p>I'm especially interested in <strong>generative machine learning</strong> and <strong>sampling algorithms</strong>.</p>
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<h2 class="section-heading">Featured Projects</h2>
<p>A few of the research efforts I've contributed to. If any of them spark a conversation, please get in touch.</p>
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<article class="project-card">
<div class="project-tag">Computational biology</div>
<h3>SAIR</h3>
<p class="project-sub">Structurally Augmented IC50 Repository</p>
<p>The largest publicly available dataset of protein–ligand structures labelled with binding affinities. I led the release of SAIR at SandboxAQ to help the community train better models for structure-based drug discovery.</p>
<a class="card-link" href="https://www.sandboxaq.com/press/sandboxaq-unveils-sair-structurally-augmented-ic50-repository-a-novel-open-dataset-of-protein-ligand-structures-labelled-by-binding-affinities" target="_blank" rel="noopener">Read the announcement <span aria-hidden="true">→</span></a>
</article>
<article class="project-card">
<div class="project-tag">Generative ML</div>
<h3>GFlowNets & generative methods</h3>
<p class="project-sub">Sampling algorithms for science</p>
<p>Research on GFlowNets and other generative ML methods for scientific discovery, spanning my postdoc at Mila and structure-based protein design at Dreamfold. Focused on diverse, high-quality sampling from complex energy landscapes.</p>
<a class="card-link" href="https://scholar.google.com/citations?user=AklQTTsAAAAJ&hl=en" target="_blank" rel="noopener">Related publications <span aria-hidden="true">→</span></a>
</article>
<article class="project-card">
<div class="project-tag">Cosmology</div>
<h3>Learning the Universe</h3>
<p class="project-sub">Accelerated forward modelling</p>
<p>Co-leading the accelerated forward modelling group at the Simons Collaboration in Learning the Universe. Earlier work includes cosmological analyses for the Dark Energy Survey and the Planck Collaboration.</p>
<a class="card-link" href="https://www.learning-the-universe.org" target="_blank" rel="noopener">Collaboration site <span aria-hidden="true">→</span></a>
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Curriculum Vitae
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GitHub
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<h2 class="section-heading">Get in touch</h2>
<p>For collaborations, outreach, or questions about any of my work, reach out by email or find me on one of the platforms below.</p>
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<a href="mailto:plemos91@gmail.com">plemos91@gmail.com</a>
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<p>© <span id="year">2026</span> Pablo Lemos.</p>
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