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Barnabas Poczos

As seen in: Mary Ann Liebert, Inc.
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Articles

Breaking the Bottlenecks: Scalable Diffusion Models for 3D Molecular Generation

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By Peiran Jiang, Dantong Zhu, Barnabas Poczos, Jose Lugo-Martinez
| arxiv.org
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AmpLyze: A Deep Learning Model for Predicting the Hemolytic Concentration

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By Barnabas Poczos, Hanqi Feng
| arxiv.org
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Diffusion Models in De Novo Drug Design

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By Barnabas Poczos, Newell Washburn, Marwin H S, Amira Alakhdar
| dx.doi.org
Introduction Click to copy section linkSection link copied! Generative models have been increasingly integrated with molecular science in modern drug discovery to help develop new therapeutics such as small molecules, (1) antibodies, (2) gene therapy and mRNA vaccines. (3) The generation of small molecules in the form of strings is well-established.
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