Researchers at the S. N. Bose National Centre for Basic Sciences, Kolkata, an autonomous institute under the Department of Science and Technology (DST), have developed PathGennie, a novel open-source computational framework that significantly accelerates Computer-Aided Drug Discovery (CADD). The algorithm was created by a team led by Prof. Suman Chakrabarty along with Dibyendu Maity and Shaheerah Shahid, and the research has been published in the peer-reviewed Journal of Chemical Theory and Computation. PathGennie addresses one of the most persistent challenges in molecular modelling — simulating rare molecular events such as drug-protein unbinding without applying external biases or elevated temperatures that can distort true kinetics. Instead of forcing a molecule to move, the algorithm launches swarms of ultrashort, unbiased molecular dynamics trajectories, each only a few femtoseconds long, and intelligently extends only those trajectories that make progress toward a desired outcome. This survival-of-the-fittest approach for trajectories allows PathGennie to bypass the long waiting times required for rare events without compromising accuracy. Demonstrated applications include mapping benzene escape routes from the T4 lysozyme binding pocket and identifying three dissociation pathways for imatinib unbinding from Abl kinase — relevant for cancer drug research. The framework is broadly applicable to chemical reactions, catalytic processes, phase transitions, and self-assembly phenomena, and is compatible with machine-learning techniques. Importantly, the software has been released freely to the global scientific community, lowering the barrier for researchers and reinforcing India's contribution to open-science drug discovery under the Department of Science and Technology.