The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
I updated the scale_moe_descriptors() function to get rid of fragmented DF warnings from Pandas. Instead of inserting the column in situ, I create a list of columns (pd.Series objects) and concatenate them with pd.concat() - please check my logic, though.
I updated the
scale_moe_descriptors()function to get rid of fragmented DF warnings from Pandas. Instead of inserting the column in situ, I create a list of columns (pd.Seriesobjects) and concatenate them withpd.concat()- please check my logic, though.