Title:
Exploring Molecular Space with Deep Generative Models and PythonDescription:
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).
Presenter(s):
Speaker: Benjamin Sanchez Lengeling, Harvard University |