Generative-Models

A 2022 perspective paper by Krenn, Aspuru-Guzik, and colleagues reviewing 250 years of chemical notation evolution and proposing 16 concrete research projects to extend SELFIES beyond traditional organic chemistry into polymers, crystals, reactions, and other complex chemical systems where traditional representations break down.

An in-depth guide to GANs: how two neural networks compete to generate realistic data, the math behind it, and the evolution of objective functions that stabilize training.