Charles B. Harris

1. Structure-based Drug Design with Equivariant Diffusion Models
   2022/10/24 by Arne Schneuing, Charles B. Harris, Schneuing, Arne +22 · 40 citations
   Computer Science · Medicine · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Monoclonal and Polyclonal Antibodies Research #Cancer-related gene regulation
2. gRNAde: Geometric Deep Learning for 3D RNA inverse design
   2023/05/24 by Chaitanya K. Joshi, Arian R. Jamasb, Joshi, Chaitanya K. +10 · 5 citations
   Biochemistry, Genetics and Molecular Biology · Computer Science · #Biomolecules (q-bio.BM) #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Quantitative Methods (q-bio.QM) #RNA and protein synthesis mechanisms
3. Evaluating representation learning on the protein structure universe
   2024/06/19 by Arian R. Jamasb, Jamasb, Arian R., Alex Morehead +19 · 5 citations
   Biochemistry, Genetics and Molecular Biology · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Genetics, Bioinformatics, and Biomedical Research #Machine Learning (cs.LG) #Machine Learning in Bioinformatics #Protein Structure and Dynamics
4. TABASCO: A Fast, Simplified Model for Molecular Generation with Improved Physical Quality
   2025/07/01 by Carlos Vonessen, Charles B. Harris, Vonessen, Carlos +5 · 4 citations
   Materials Science · Computer Science · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Advanced Graph Neural Networks