Predictive studies have exerted a significant influence on experimental biomedical research. In this new wave of revolution, the Indian traditional medicine system of Ayurveda has also set foot into computational drug designing. Therefore, a crosstalk and conceptual understanding of informatics and Ayurveda and practical training are required. Envisaging this, a 6-day, national workshop and training program was organized by All India Institute of Ayurveda (AIIA), New Delhi in September 2024 on Computer-aided Drug Design (CADD) in Ayurveda that included representatives from various national and state institutes and research bodies inside and outside the Ministry of Ayush. It covered core concepts of bioinformatics and Ayurveda, hands-on training on various techniques and software used in CADD, and interpretation and publishing of results. AIIA is committed to large-scale capacity building and developing research-based solutions for surfacing Ayurinformatics at global scientific platforms.