Michael Fortunato

pysimm: A python package for simulation of molecular systems

Michael Fortunato, Coray M. Colina · SoftwareX · 2016 · 87 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning

Michael Fortunato, Connor W. Coley, Brian C. Barnes et al. · Journal of Chemical Information and Modeling · 2020 · 84 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +15

ASKCOS: Open-Source, Data-Driven Synthesis Planning

Zhengkai Tu, Sourabh J. Choure, Mun Hong Fong et al. · Accounts of Chemical Research · 2025 · 54 citations · Full text

Natural Sciences, Chemical Engineering, Computational Chemistry +13

Uncertainties in the predictions of thermo-physical properties of thermoplastic polymers via molecular dynamics

Lorena Alzate-Vargas, Michael Fortunato, Benjamin P Haley et al. · Modelling and Simulation in Materials Science and Engineering · 2018 · 25 citations

Natural Sciences, Materials Engineering, Materials Science +17

Update 0.2 to “pysimm: A python package for simulation of molecular systems”

Alexander G Demidov, Michael Fortunato, Coray M. Colina · SoftwareX · 2018 · 14 citations · Full text

Natural Sciences, Chemistry, Physics +14