David R. Koes
- Improvements to the APBS biomolecular solvation software suite
2017/08/24 by Elizabeth Jurrus, Dave Engel, Keith Star +28 · 32 citations
Biochemistry, Genetics and Molecular Biology · #Advanced Fluorescence Microscopy Techniques #Gene Regulatory Network Analysis #Protein Structure and Dynamics
- 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
- Scaling Structure Aware Virtual Screening to Billions of Molecules with SPRINT
2024/11/23 by Andrew T. McNutt, Abhinav K. Adduri, McNutt, Andrew T. +13 · 3 voices · 2 citations
Chemistry · #Advanced Proteomics Techniques and Applications #cs.LG #q-bio.BM
- 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