Two-days cloud-based hands-on workshop targeting ligand and structure-based drug designing. Participants will get practical experience and in-person guidance in using the Maestro GUI, covering the organic molecule sketching, protein preparation, and screening using Molecular Docking for hit identification of molecules against therapeutic targets. The lectures will also deal with a brief theory and practical experience on Pharmacophore Modelling, Shape-based Screening & Core Hopping, and Machine-Learning Model building using AutoQSAR.