Explore @cole-group Open Source projects

@cole-group

cole-group

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137
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Registered over 6 years ago
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FEgrow

An Open-Source Molecular Builder and Free Energy Preparation Workflow

Jupyter Notebook

QUBEKit-legacy

Development version of QuBeKit force field derivation software

QUBE-SOMD-paper

Jupyter Notebook

FEP-scripts

Example set up scripts for free energy calculations with SOMD

Jupyter Notebook

Teaching

Jupyter Notebook

FEgrow-data

Jupyter Notebook

coding-retreat2022

Progress from the OpenMM-MACE hackathon