Harrison Green

University of Pittsburgh — United States

Computer Science · Physical Sciences

5h-index266citations9works0.02yr avg
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Research Topics

Computational Drug Discovery Methods(7), Machine Learning in Materials Science(5), Protein Structure and Dynamics(2), Innovative Microfluidic and Catalytic Techniques Innovation(2), Advanced Chemical Physics Studies(1)

Publications9 total

Precision fragment addition: domain-specific DeepFrag2 models for smarter lead optimization
Digital Discovery·2026Open Access
Effective Auxiliary Variables via Structured Reencoding
arXiv (Cornell University)·2023· 3 citedOpen Access
GraphFuzz
Proceedings of the 44th International Conference on Software Engineering·2022· 34 cited
DeepFrag: An Open-Source Browser App for Deep-Learning Lead Optimization
Journal of Chemical Information and Modeling·2021· 37 citedOpen Access
DeepFrag: An Open-Source Browser App for Deep-Learning Lead Optimization
2021Open Access
DeepFrag: A Deep Convolutional Neural Network for Fragment-based Lead Optimization
2021· 7 citedOpen Access
DeepFrag: a deep convolutional neural network for fragment-based lead optimization
Chemical Science·2021· 94 citedOpen Access
Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening
PMC·2019· 5 cited
Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening
Journal of Cheminformatics·2019· 86 citedOpen Access

Frequent Co-authors

Jacob D. Durrant(7), David Ryan Koes(2), Patrick J. Ropp(2), Jacob O. Spiegel(2), Jennifer L. Walker(2), Guillermo Morales(2), Katherine A. Milliken(2), John J. Ringe(2), Thanassis Avgerinos(1), Andrew Haberlandt(1), Marijn J. H. Heule(1), Cesar Raul Garcia-Jacas(1), Shayne D. Wierbowski(1)