SY

Soojung Yang

0000-0003-3090-0176

cs.LGphysics.chem-phq-bio.BMcond-mat.mtrl-scics.AIq-bio.QMAlgorithmsDeep Learningmolecular biologyMolecular Dynamics Simulation

On Valency

published · living versions

Science Prediction Universe

with Zengji Tu, Xiang Liu, Jiarui Sun, Ruoyu Wu +31

1 version

W_xgqyup7dv1 · current

Preprints & journals

17 papers in the corpus · 2020–2026

Generative modeling of intrinsically disordered protein regions by reinforcing sparse autoencoder features

Jason X. Liu, Sebastian Ibarraran, Frank Hu et al.

0 citations

2610.02189v12026arXiv

LLM sequential decision making under uncertainty in biochemical domains

Mattias Akke, Soojung Yang, Jur'gis Ruza et al.

0 citations

2609.33061v12026arXiv

VibeProteinBench: An Evaluation Benchmark for Language-interfaced Vibe Protein Design

Hyunjin Seo, Hongjoon Ahn, Jimin Park et al.

0 citations

2605.10978v42026arXiv

A Priori Sampling of Transition States with Guided Diffusion

Hyukjun Lim, Soojung Yang, Lucas Pinede et al.

0 citations

2603.25980v22026arXiv

Universally Converging Representations of Matter Across Scientific Foundation Models

Sathya Edamadaka, Soojung Yang, Ju Li et al.

2 citations

2512.03750v12025arXiv

Bayesian Optimization for Biochemical Discovery with LLMs

Mattias Akke, Soojung Yang, Jurgis Ruza et al.

2 citations

10.26434/chemrxiv-2025-w1wsh2025ChemRxiv

Transferable Learning of Reaction Pathways from Geometric Priors.

Nam, Juno, Steiner, Miguel, Misterka, Max et al.

1 citation

411723262025The journal of physical chemistry letters. 2025;16(45):11690-11699

Scalable emulation of protein equilibrium ensembles with generative deep learning.

Lewis, Sarah, Hempel, Tim, Jiménez-Luna, José et al.

346 citations

406387102025Science (New York, N.Y.). 2025;389(6761):eadv9817

Learning Collective Variables from BioEmu with Time-Lagged Generation

Seonghyun Park, Kiyoung Seong, Soojung Yang et al.

0 citations

2507.07390v42025arXiv

Flow Matching for Accelerated Simulation of Atomic Transport in Crystalline Materials

Juno Nam, Sulin Liu, Gavin Winter et al.

9 citations

2410.01464v42024Nat. Mach. Intell. (2025)

Learning Collective Variables with Synthetic Data Augmentation through Physics-Inspired Geodesic Interpolation.

Yang, Soojung, Nam, Juno, Dietschreit, Johannes C B et al.

14 citations

390734422024Journal of chemical theory and computation. 2024;20(15):6559-6568

Regularized indirect learning improves phage display ligand discovery

Joseph S. Brown, Yitong Tseo, Michael A. Lee et al.

3 citations

10.26434/chemrxiv-2023-jpwvn2023ChemRxiv

Chemically Transferable Generative Backmapping of Coarse-Grained Proteins

Soojung Yang, Rafael G'omez-Bombarelli

12 citations

2303.01569v12023arXiv

PIGNet: a physics-informed deep learning model toward generalized drug-target interaction predictions.

Moon, Seokhyun, Zhung, Wonho, Yang, Soojung et al.

193 citations

354329002024Chemical science. 2022;13(13):3661-3673

Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation

Soojung Yang, Doyeong Hwang, Seul Lee et al.

24 citations

2110.01219v32021arXiv

Comprehensive Study on Molecular Supervised Learning with Graph Neural Networks.

Hwang, Doyeong, Yang, Soojung, Kwon, Yongchan et al.

35 citations

331645222021Journal of chemical information and modeling. 2020;60(12):5936-5945

A comprehensive study on the prediction reliability of graph neural networks for virtual screening

Soojung Yang, Kyung Hoon Lee, Seongok Ryu

6 citations

2003.07611v12020arXiv

Career total: 27 works. 17 are in this corpus.

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