Dunn, Ian

1. Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule Generation
   2024/04/30 by Ian Dunn, David Ryan Koes, Dunn, Ian +1 · 15 citations
   Computer Science · Engineering · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Innovative Microfluidic and Catalytic Techniques Innovation #Machine Learning (cs.LG) #Machine Learning and Data Classification #Statistical and Computational Modeling
2. Exploring Discrete Flow Matching for 3D De Novo Molecule Generation
   2024/11/25 by Ian Dunn, David R. Koes, Dunn, Ian +1 · 4 voices · 7 citations
   #cs.LG #q-bio.BM
3. FlowMol3: Flow Matching for 3D De Novo Small-Molecule Generation
   2025/08/18 by Ian Dunn, Dunn, Ian, David R. Koes +1 · 1 voice · 8 citations
   Biochemistry, Genetics and Molecular Biology · Computer Science · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #cs.LG #q-bio.BM
4. GEOM-Drugs Revisited: Toward More Chemically Accurate Benchmarks for 3D Molecule Generation
   2025/04/30 by Nikitin, Filipp, Dunn, Ian, Koes, David Ryan +1 · 4 citations
   #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Machine Learning (cs.LG)
5. Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure
   2023/11/22 by Ian Dunn, David Ryan Koes, Dunn, Ian +1 · 2 citations
   Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Biomolecules (q-bio.BM) #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics