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Postdoc in computational chemistry, interested in atomistic simulations and machine learning.
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Paderborn University
- https://orcid.org/0000-0002-2088-8508
- @omidshy.bsky.social
Popular repositories Loading
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analyze-md
analyze-md PublicA collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.
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ml-notebooks
ml-notebooks PublicA collection of machine learning-related notebooks for educational purposes.
Jupyter Notebook
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DistMLIP
DistMLIP PublicForked from AegisIK/DistMLIP
DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
Python
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