Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion Architectures
- Partha Suryanarayanan
- Shreyans Sethi
- et al.
- 2024
- ACS Fall 2024
I am a Senior Technical Staff Member part of Healthcare and Life Sciences division of IBM Research.
With more than two decades of experience spanning finance, healthcare, and AI-driven drug discovery, I have cultivated a multidisciplinary skillset that bridges research, technical architecture, and real-world solutions. From 2004 to 2012, I worked in the finance sector, where I specialized in solution architecture and led teams in building large-scale, high-performance systems. Between 2012 and 2022, my focus shifted to natural language processing (NLP) and question-answering technologies at IBM Research, where I pioneered AI-driven healthcare solutions, including clinical decision support systems and advanced NLP models. Since 2022, I’ve been leading research on multimodal foundation models and generative models to transform small molecule drug discovery. I am particularly interested in exploring symmetries, geometric deep learning, and physics-inspired deep learning to push the boundaries of molecular representation and design. My passion lies in developing cutting-edge AI systems that drive both scientific breakthroughs and scalable commercial applications.