no code implementations • 4 Oct 2021 • Dawid Warszycki, Łukasz Struski, Marek Śmieja, Rafał Kafel, Rafał Kurczab
Structural fingerprints and pharmacophore modeling are methodologies that have been used for at least two decades in various fields of cheminformatics: from similarity searching to machine learning (ML).
1 code implementation • 18 Sep 2021 • Maciej Wołczyk, Magdalena Proszewska, Łukasz Maziarka, Maciej Zięba, Patryk Wielopolski, Rafał Kurczab, Marek Śmieja
Modern generative models achieve excellent quality in a variety of tasks including image or text generation and chemical molecule modeling.