2 papers
cs.LG2020
Molecule Attention Transformer
Łukasz Maziarka, Tomasz Danel, Sławomir Mucha +3
Designing a single neural network architecture that performs competitively across a range of molecule property prediction tasks remains largely an open challenge, and its solution…
cs.LG2019
Mol-CycleGAN - a generative model for molecular optimization
Łukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk +2
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…