drugforge.alchemy.predict.create_relative_report

drugforge.alchemy.predict.create_relative_report(dataframe: DataFrame) → Column

Create a cinnabar style interactive report for the dataframe of relative free energy predictions, this dataframe should include experimental data already.

Args:

dataframe: The dataframe of relative predictions to construct the report for.

Returns:

A panel column containing an interactive plot and table of the free energy predictions if we have 2 or more exp data points else only a table is created.