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
620 results for Accelerated Discovery
AI-driven prediction of monoclonal antibody binding and activity against influenza A virus
- Michal Ozery-Flato
- Ella Barkan
- et al.
- 2025
- ACS Fall 2025
TalkTransformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- Laura Mismetti
- Marvin Alberts
- et al.
- 2025
- ACS Fall 2025
TalkHybrid quantum-classical simulation of periodic materials
- Rodrigo Neumann Barros Ferreira
- Alan Duriez
- et al.
- 2025
- ACS Fall 2025
TalkMolecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture
- Rodrigo Neumann Barros Ferreira
- Yogesh Joshi
- et al.
- 2025
- ACS Fall 2025
TalkFrom Spectra to Structure: AI-Powered 31P-NMR Interpretation
- Marvin Alberts
- Nina Hartrampf
- et al.
- 2025
- ACS Fall 2025
TalkSpectra to Molecule: A Multimodal Multitasking Transformer Model for Automated Structure Elucidation
- 2025
- ACS Fall 2025
TalkImproving Polymer Property Predictions with Geometric Information in Equivariant Graph Neural Networks
- Ronaldo Giro
- Thiago Reschutzegger
- et al.
- 2025
- ACS Fall 2025
TalkTriple activation of germinated seeds diversifies protein breakdown
- Indrani Bera
- Raúl Fernández Díaz
- et al.
- 2025
- ACS Fall 2025
TalkForce-free molecular dynamics for fast and accurate long-timescale simulations
- Fabian Thiemann
- Thiago Reschutzegger
- et al.
- 2025
- ACS Fall 2025
Talk