Soojung Yang
- Scalable emulation of protein equilibrium ensembles with generative deep learning
2024/12/05 by Sarah Lewis, Tim Hempel, José Jiménez-Luna +23 · 2 voices · 50 citations
Biochemistry, Genetics and Molecular Biology · Decision Sciences · #Protein Structure and Dynamics #Scientific Computing and Data Management
- Beyond Converging Representations A Philosophical Response on the Interpretation Risks of Scientific Foundation Models
2025/12/03 by Sathya Edamadaka, Edamadaka, Sathya, Soojung Yang +6 · 5 voices · 5 citations
Materials Science · Computer Science · #Machine Learning in Materials Science #Advanced Graph Neural Networks #Computational Drug Discovery Methods
- Hit and Lead Discovery with Explorative RL and Fragment-based Molecule\n Generation
2021/10/04 by Soojung Yang, Yang, Soojung, Doyeong Hwang +7 · 4 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Artificial Intelligence (cs.AI) #Cell Image Analysis Techniques #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 #Quantitative Methods (q-bio.QM)
- PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions
2020/08/22 by Seokhyun Moon, Moon, Seokhyun, Wonho Zhung +7 · 3 citations
Computer Science · Materials Science · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics
- Chemically Transferable Generative Backmapping of Coarse-Grained Proteins
2023/03/02 by Soojung Yang, Rafael Gómez‐Bombarelli, Yang, Soojung +1 · 4 citations
Materials Science · Biochemistry, Genetics and Molecular Biology · #Machine Learning in Materials Science #Protein Structure and Dynamics #Block Copolymer Self-Assembly
- Transferable Learning of Reaction Pathways from Geometric Priors
2025/04/21 by Juno Nam, Miguel Steiner, Nam, Juno +9 · 1 voice · 1 citation
Computer Science · Physics and Astronomy · #Computational Drug Discovery Methods #cond-mat.mtrl-sci #cs.LG #physics.chem-ph