Handling chemoinformatics data with pandas #RDKit #chemoinformatics

I often use Pandas for data analysis. RDKit provides useful method named PandasTools. The method can load sdf and return data as pandas dataframe. By using dataframe, It isn’t needed to do something with for loop. I found an interesting information in rdkit issues. A package named pyjanitor. The package wraps pandas and provides usefulContinue reading “Handling chemoinformatics data with pandas #RDKit #chemoinformatics”

Advertisement