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Sequence Generator for Relative Binding Free Energy Calculations

Interactive graph that will provide the lambda values for RBFE calculations

Try it on binder! Binder

Create the env

conda create -n interactivenotebooks python=3 ipywidgets jupyter pandas numpy scipy plotly bokeh matplotlib

Activate the env

conda activate interactivenotebooks

Env file for binder

environment.yml create as per https://github.com/binder-examples/conda

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Interactive sequence generator for RBFE calculations

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  • Jupyter Notebook 100.0%