6 citations · 9 across the 8 of their papers we have counts for
4 papers · 1 filter
ScholarEval: Research Idea Evaluation Grounded in Literature
Hanane Nour Moussa, Patrick Queiroz Da Silva, Daniel Adu-Ampratwum +7
As AI tools become increasingly common for research ideation, robust evaluation is critical to ensure the validity and usefulness of generated ideas. We introduce ScholarEval, a re…
LARC: Towards Human-level Constrained Retrosynthesis Planning through an Agentic Framework
Frazier N. Baker, Daniel Adu-Ampratwum, Reza Averly +3
Large language model (LLM) agent evaluators leverage specialized tools to ground the rational decision-making of LLMs, making them well-suited to aid in scientific discoveries, suc…
DiffER: Categorical Diffusion for Chemical Retrosynthesis
Sean Current, Ziqi Chen, Daniel Adu-Ampratwum +2
Methods for automatic chemical retrosynthesis have found recent success through the application of models traditionally built for natural language processing, primarily through tra…
Generating 3D Binding Molecules Using Shape-Conditioned Diffusion Models with Guidance
Ziqi Chen, Bo Peng, Tianhua Zhai +2
Drug development is a critical but notoriously resource- and time-consuming process. In this manuscript, we develop a novel generative artificial intelligence (genAI) method DiffSM…