Improving structural plausibility in diffusion-based 3D molecule generation via property-conditioned training with distorted molecules
- Lucy Vost
- Vijil Chenthamarakshan
- et al.
- 2025
- Digital Discovery
Paper
Publications
24913 results for Exploratory Science
Can LLMs Recommend More Responsible Prompts?
- Vagner Figueredo De Santana
- Sara Berger
- et al.
- 2025
- IUI 2025
Conference paperACE: Moving toward Co-Investigation with the Agentic Code Explorer
- Dario Andres Silva Moran
- Kristina Brimijoin
- et al.
- 2025
- IUI 2025
Conference paper“Loss in Value”: What it revealed about WHO an explanation serves well and WHEN
- Md Montaser Hamid
- Jonathan Dodge
- et al.
- 2025
- IUI 2025
Workshop paperMetricMate: An Interactive Tool for Generating Evaluation Criteria for LLM-as-a-Judge Workflow
- Simret Araya Gebreegziabher
- Charles Chiang
- et al.
- 2025
- IUI 2025
Workshop paperEnhancing Control and Speed in Anionic Ring-Opening Polymerization: A Continuous-Flow Ap-proach for Rapid, Well-Defined Polymers in Milliseconds
- Tim Erdmann
- Pedro Arrechea
- et al.
- 2025
- ACS Spring 2025
Invited talkAliphatic Polycarbonates: From Functional Platform Materials to Foundation Models
- Nathaniel Park
- James Hedrick
- 2025
- ACS Spring 2025
TalkComparative Study of Open-source LLMs for text classification and knowledge extraction in the Material Discovery Domain
- Viviane T. Silva
- Anaximandro Souza
- et al.
- 2025
- ACS Spring 2025
TalkGenerative AI and Multi-Agent Systems for Polymer Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2025
- ACS Spring 2025
TalkPhysics-informed categorization of data modalities used in AI-assisted drug discovery
- 2025
- ACS Spring 2025
Talk