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Molecules (Basel, Switzerland)|December 10, 2021
Virtual Screening with Gnina 1.0Jocelyn Sunseri, David Ryan KoesNucleic Acids Research|April 21, 2016
Pharmit: interactive exploration of chemical spaceJocelyn Sunseri, David Ryan KoesJournal of Molecular Graphics & Modelling|September 16, 2016
Open source molecular modelingSomayeh Pirhadi, Jocelyn Sunseri, David Ryan KoesJournal of Computer-Aided Molecular Design|September 5, 2016
A D3R prospective evaluation of machine learning for protein-ligand scoringJocelyn Sunseri, Matthew Ragoza, Jasmine Collins, et al.Journal of Chemical Information and Modeling|April 4, 2017
Protein-Ligand Scoring with Convolutional Neural NetworksMatthew Ragoza, Joshua Hochuli, Elisa Idrobo, et al.Journal of Computer-Aided Molecular Design|July 12, 2018
Convolutional neural network scoring and minimization in the D3R 2017 community challengeJocelyn Sunseri, Jonathan E King, Paul G Francoeur, et al.Journal of Cheminformatics|June 10, 2021
GNINA 1.0: molecular docking with deep learningAndrew T McNutt, Paul Francoeur, Rishal Aggarwal, et al.IBM Journal of Research and Development|April 19, 2021
The Pharmit Backend: A Computer Systems Approach to Enabling Interactive Online Drug DiscoveryDavid Ryan KoesJournal of Chemical Information and Modeling|February 13, 2020
libmolgrid: Graphics Processing Unit Accelerated Molecular Gridding for Deep Learning ApplicationsJocelyn Sunseri, David R KoesArxiv|May 15, 2024
Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule GenerationIan Dunn, David Ryan KoesPageof 5