CADD + Machine Learning Scientist - Charles River Laboratories
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Charles River Laboratories
- Saffron Walden
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05:02
(UTC)
Highlights
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CrypticSWISH
CrypticSWISH PublicForked from OleinikovasV/CrypticSWISH
Scripts that are helpful to setup SWISH simulations (documentation under development, use with caution)
Python
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Gen_Archimedean_Spiral
Gen_Archimedean_Spiral PublicA python script and Jupyter Notebook to generate an Archimedean spiral
Jupyter Notebook
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md_misc
md_misc PublicMiscellaneous scripts and templates for simple one-system MD/MC engines in Python and C++
Jupyter Notebook
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YMF_scripts
YMF_scripts PublicA library of all the scripts used to generate animations for the YMF 2019 Presentation - "Towards more selective enhanced sampling of biomolecular dynamics"
Python
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