1 code implementation • 23 Nov 2020 • Agnieszka Pocha, Tomasz Danel, Łukasz Maziarka
Graph neural networks have recently become a standard method for analysing chemical compounds.
1 code implementation • ICLR 2019 • Łukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Michał Warchoł
Designing a molecule with desired properties is one of the biggest challenges in drug development, as it requires optimization of chemical compound structures with respect to many complex properties.