Principled Latent-Variable Modeling Enables Efficient Conditional Molecular DesignPartha SuryanarayananBc Kwonet al.2026ACS Spring 2026Talk
Embedding billion-scale molecule databases in generative model latent space enables efficient search for accessible surrogatesTim RumbellShruti Murarkaet al.2026ACS Spring 2026Poster
STAR-VAE: Latent Variable Transformers for Scalable and Controllable Molecular GenerationBc KwonBen Shapiraet al.2026AAAI 2026Workshop paper
A Discrete Diffusion Model for de novo Molecular Generation with Continuous Property GuidancePartha SuryanarayananShreyans Sethiet al.2025ACS Fall 2025Talk
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion ArchitecturesPartha SuryanarayananShreyans Sethiet al.2024ACS Fall 2024Talk
Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view modelsJoseph MorroneDiwakar Mahajanet al.2024ACS Fall 2024Talk
SPARK: Harnessing Human-Centered Workflows with Biomedical Foundation Models for Drug DiscoveryBc KwonSimona Rabinovici-Cohenet al.2024IJCAI 2024Demo paper
Optimizing CAR T cell design using quantum convolutional neural networksSara CapponiKahn Rhrissorrakraiet al.2024ISMB 2024Talk
Unsupervised and supervised AI on molecular dynamics simulations reveals complex characteristics of HLA-A2-peptide immunogenicityJeffrey K WeberJoseph A Morroneet al.2024Briefings in BioinformaticsPaper
Molecular dynamics as a data source: scaling simulation for building AI modelsJoseph MorroneJeff Weberet al.2023ACS Fall 2023Talk