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Hyun Park
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End-to-end AI framework for interpretable prediction of molecular and crystal properties
H Park, R Zhu, EA Huerta, S Chaudhuri, E Tajkhorshid, D Cooper
Machine Learning: Science and Technology 4 (2), 025036, 2023
42023
A generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture
H Park, X Yan, R Zhu, EA Huerta, S Chaudhuri, D Cooper, I Foster, ...
Communications Chemistry 7 (1), 21, 2024
12024
Prediction of diblock copolymer morphology via machine learning
H Park, B Yu, J Park, G Sun, E Tajkhorshid, JJ de Pablo, L Schneider
arXiv preprint arXiv:2308.16886, 2023
12023
Ghp-mofassemble: Diffusion modeling, high throughput screening, and molecular dynamics for rational discovery of novel metal-organic frameworks for carbon capture at scale
H Park, X Yan, R Zhu, EA Huerta, S Chaudhuri, D Cooper, I Foster, ...
arXiv preprint arXiv:2306.08695, 2023
12023
End-to-end AI framework for hyperparameter optimization, model training, and interpretable inference for molecules and crystals
H Park, R Zhu, EA Huerta, S Chaudhuri, E Tajkhorshid, D Cooper
arXiv e-prints, arXiv: 2212.11317, 2022
12022
Topological Learning Approach to Characterizing Biological Membranes
AS Arango, H Park, E Tajkhorshid
Biorxiv, 2023
2023
APACE: AlphaFold2 and advanced computing as a service for accelerated discovery in biophysics
H Park, P Patel, R Haas, EA Huerta
arXiv preprint arXiv:2308.07954, 2023
2023
GHP-MOFassemble: Diffusion modeling, high throughput screening, and molecular dynamics for rational discovery of novel metal-organic frameworks for carbon capture at scale
E Huerta, H Park, X Yan, R Zhu, S Chaudhuri, D Cooper, I Foster, ...
2023
Topological learning approach to characterize lipids
AS Arango, H Park, E Tajkhorshid
Biophysical journal 122 (3), 22a, 2023
2023
Machine learning guided sampling of protein transition pathways
H Park, E Tajkhorshid
Biophysical journal 122 (3), 282a, 2023
2023
Novel deep learning energy-based model to predict protein dynamics
H Park, E Tajkhorshid
Biophysical Journal 121 (3), 444a-445a, 2022
2022
Probing Druggability of the Zika Virus Envelope Proteins using a Novel Computational Approach
H Park, E Tajkhorshid
Biophysical Journal 120 (3), 176a, 2021
2021
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Articles 1–12