Application of modern machine learning (ML) methods in molecular sciences has had prominent success during the last few years, and the research area is growing at a rapid pace. “ML4Science Research Café” is a “seminar & discussion” series that is launched as a forum where experts in the area will be invited to present their work, and to engage in discussions with ML4Science enthusiasts/learners. In addition to seminar, “fireside chat” with issues in the area will be organized. This may be of interest to students, and researchers who are working/planning to work in the areas of computational chemistry, bioinformatics and computer aided drug design. The café is open to all interested in the area and will feature speakers/panelists from both the industry and institutions.