Jamasb, Arian
- Structure-based Drug Design with Equivariant Diffusion Models
2022/10/24 by Arne Schneuing, Schneuing, Arne, Charles B. Harris +22 · 49 citations
Computer Science · Medicine · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Monoclonal and Polyclonal Antibodies Research #Cancer-related gene regulation
- Protein Representation Learning by Geometric Structure Pretraining
2022/03/11 by Zuobai Zhang, Zhang, Zuobai, Minghao Xu +10 · 17 citations
Biochemistry, Genetics and Molecular Biology · #Machine Learning in Bioinformatics #Protein Structure and Dynamics #Bioinformatics and Genomic Networks
- GAUCHE: A Library for Gaussian Processes in Chemistry
2022/12/06 by Griffiths, Ryan-Rhys, Klarner, Leo, Moss, Henry B. +24 · 7 citations
#Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
- Structure-based drug design by denoising voxel grids
2024/05/07 by Pedro O. Pinheiro, Pinheiro, Pedro O., Arian R. Jamasb +7 · 8 citations
Biochemistry, Genetics and Molecular Biology · #Biomolecules (q-bio.BM) #Cell Image Analysis Techniques #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG)