Principled Latent-Variable Modeling Enables Efficient Conditional Molecular Design
- Partha Suryanarayanan
- Bc Kwon
- et al.
- 2026
- ACS Spring 2026
Talk
Publications
28 results for Joseph Morrone
Embedding billion-scale molecule databases in generative model latent space enables efficient search for accessible surrogates
- Tim Rumbell
- Shruti Murarka
- et al.
- 2026
- ACS Spring 2026
PosterSTAR-VAE: Latent Variable Transformers for Scalable and Controllable Molecular Generation
- Bc Kwon
- Ben Shapira
- et al.
- 2026
- AAAI 2026
Workshop paperA Discrete Diffusion Model for de novo Molecular Generation with Continuous Property Guidance
- Partha Suryanarayanan
- Shreyans Sethi
- et al.
- 2025
- ACS Fall 2025
TalkMultimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion Architectures
- Partha Suryanarayanan
- Shreyans Sethi
- et al.
- 2024
- ACS Fall 2024
TalkTowards accelerating small molecule drug discovery with pre-trained, late fusion multi-view models
- Joseph Morrone
- Diwakar Mahajan
- et al.
- 2024
- ACS Fall 2024
TalkSPARK: Harnessing Human-Centered Workflows with Biomedical Foundation Models for Drug Discovery
- Bc Kwon
- Simona Rabinovici-Cohen
- et al.
- 2024
- IJCAI 2024
Demo paperOptimizing CAR T cell design using quantum convolutional neural networks
- 2024
- ISMB 2024
TalkUnsupervised and supervised AI on molecular dynamics simulations reveals complex characteristics of HLA-A2-peptide immunogenicity
- 2024
- Briefings in Bioinformatics
PaperMolecular dynamics as a data source: scaling simulation for building AI models
- Joseph Morrone
- Jeff Weber
- et al.
- 2023
- ACS Fall 2023
Talk