Nazanin Donyapour
Senior Computational Scientist
Smithfield, Utah, United States
Summary
👤
Senior🎓
Top SchoolNazanin Donyapour is a Senior Computational Scientist with eight years of experience at the intersection of molecular simulation and machine learning, currently applying her expertise at Axle Informatics. She holds a PhD in Computational Mathematics, Science and Engineering from Michigan State University and has developed enhanced sampling methods, deep learning models for partition coefficient prediction, and efficient ML strategies for dynamic drug design. Comfortable coding and building algorithms end-to-end, she focuses on ML/AI-driven computational drug design tasks such as predicting drug-like properties, protein–ligand interactions, docking, and binding scoring functions. Her background in computer engineering and IT, combined with rigorous doctoral research (3.92 GPA), gives her a rare blend of theoretical rigor and practical implementation experience. She is actively seeking ML/DL scientist or data scientist roles where she can translate advanced simulation and ML methods into predictive tools for drug discovery.
8 years of coding experience
5 years of employment as a software developer
Bachelor's degree, Computer Science, 16.91/20, Bachelor's degree, Computer Science, 16.91/20 at Bu-Ali Sina UniversityMaster's degree, Information Technology (IT) Computer Networks, 16.19/20, Master's degree, Information Technology (IT) Computer Networks, 16.19/20 at Urmia UniversityDoctor of Philosophy - PhD, Computational Mathematics, Science and Engineering, 3.92, Doctor of Philosophy - PhD, Computational Mathematics, Science and Engineering, 3.92 at Michigan State University
Github Skills (68)
slurm10
weighted10
pure-python10
wdl10
simulation10
common-workflow-language10
gridengine9
pipeline9
workflow-description-language9
science9
python9
reference-implementation9
aws9
simulation-framework9
scalable8
Programming languages (4)
Github contributions (5)
ADicksonLab/ClassicalGSG
Oct 2020 - Dec 2021
A new logP predictor method using GSG and NNs
Contributions:37 commits, 2 PRs, 36 pushes in 1 year 1 month
geommetric-scattering-for-graphslogpneural-networks
ndonyapour/workflow-inference-compiler
Dec 2022 - Mar 2025
Contributions:173 pushes, 25 branches in 2 years 3 months
domainscientificpipelinesdomain-specificdomain-specific-language
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