A Discrete Diffusion Model for de novo Molecular Generation with Continuous Property Guidance
- Partha Suryanarayanan
- Shreyans Sethi
- et al.
- 2025
- ACS Fall 2025
Talk
Publications
26917 results for Science
How to generalize machine learning models to both canonical and non-canonical peptides
- Raúl Fernández Díaz
- Rodrigo Ochoa
- et al.
- 2025
- ACS Fall 2025
TalkDrug-target binding affinity prediction with docking pose physics
- Marina Villacampa-fernandez
- Raúl Fernández Díaz
- et al.
- 2025
- ACS Fall 2025
PosterLeveraging multi-textual representation of molecules on a large encoder-decoder foundation models for materials
- Victor Yukio Shirasuna
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Fall 2025
Poster3rd TrustAI Workshop: Building Public Awareness and Engagement
- Miriam Rateike
- Brian Mboya
- et al.
- 2025
- DLI 2025
WorkshopDECASTE: Unveiling Caste Stereotypes in Large Language Models Through Multi-Dimensional Bias Analysis
- Prashanth Vijayaraghavan
- Soroush Vosoughi
- et al.
- 2025
- IJCAI 2025
Conference paperAccelerating LSTM model training through biologically inspired NeuroAI
- Robert Tracey
- Carol Mak
- 2025
- IJCAI 2025
Workshop paperStabilizing Carbonic Anhydrase at Elevated Temperatures via Amine-Functionalized Boron Nitride Nanosheets
- Dulini Fernando
- Motilal Mathesh
- et al.
- 2025
- Langmuir
PaperA foundation model for learning genetic associations from brain imaging phenotypes
- Diego Machado Reyes
- Myson Burch
- et al.
- 2025
- Bioinformatics Advances
PaperSimulating carbon dioxide geologic storage at pore scale in digital rock
- Mathias Steiner
- 2025
- Interpore BR 2025
Keynote