Exploring Molecular Space with Deep Generative Models and Python


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How can we make molecules tailored to a specific problem?​ ​This talk is about how we are tackling this challenge from a computational side using python tools. We will be showcasing two tools developed in the Aspuru-Guzik lab for this task, the chemical variational auto-encoder (https://github.com/aspuru-guzik-group/chemical_vae), and ORGANIC (https://github.com/aspuru-guzik-group/ORGANIC).

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