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Tuan Le — most-cited papers & profile · AI for Science
← authors
·
overview
Tuan Le
5
papers ·
21
citations ·
1
h-index
Iowa State University · Indiana University Bloomington
Google Scholar ↗
Semantic Scholar ↗
OpenAlex ↗
Most-cited papers
Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation
2023 · 7 citations
Equivariant Graph Attention Networks for Molecular Property Prediction
2022 · 6 citations
FLOWR.root: A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction
2025 · 1 citations
PILOT: Equivariant diffusion for pocket conditioned de novo ligand generation with multi-objective guidance via importance sampling
2024
Top co-authors
Djork-Arn\'e Clevert
· 4
Frank No\'e
· 3
Julian Cremer
· 3
Emilia S{\l}ugocka
· 1
Filipe Menezes
· 1
Kristof Sch\"utt
· 1
Kristof T. Sch\"utt
· 1
Mohammad M. Ghahremanpour
· 1
Topics
Drug Discovery
Chemistry
Protein Science
Medical AI
Materials