no code implementations • 25 Oct 2023 • Jaiveer Gill, Ratul Chakraborty, Reetham Gubba, Amy Liu, Shrey Jain, Chirag Iyer, Obaid Khwaja, Saurav Kumar
Thus, we introduce a similarity search and clustering algorithm to aid in searching for and interacting with molecules, enhancing efficiency in chemical exploration and enabling future development of emergent properties in molecular property prediction models.