On the 4th-6th of December 2019, the Bioinformatics and Pharmacy study programs at the Indonesia International Institute for Life Sciences (i3L) held a workshop on “The Virtual Screening of Herbal Compounds with Molecular Simulation Methods”. The invited external keynote speakers for this workshop were Dr. Wai Keat Yam and Dr. Sy Bing Choi from the School of Data Science, Perdana University, Malaysia. The internal speakers who spoke at the workshop were R. Leonny Yulita Hartiadi, Apt, Ph.D., and Dr.rer.nat. Arli Aditya Parikesit, both from i3L. On the 4th and 5th of December, Dr. Wai and Dr. Sy explained the introduction and advanced applications of the molecular docking method. They also provided hands-on training on high-throughput virtual screening and protein-ligand interaction analysis. On the last day (6th of December), Dr. Leonny Hartiadi gave a lecture on the introduction and application of herbal medicine, while Dr. Arli Parikesit exposed the participants to scientific publishing, specifically on how to prepare their research manuscript for submission to reputable journals indexed in SCOPUS and WOS. Based on the survey, the participants were highly satisfied with the additional skills that they gained during the workshop, and they were very eager to participate in the next workshop on equally advanced topics. The organizing committee of this workshop were Dr. David Agustriawan as the chairperson and Rizky Nurdiansyah, M.Si. and Nanda Rizqia Pradana Ratnasari, M.Stats. as committee members.