MolProp TK ExamplesΒΆ

The following table lists the currently available MolProp TK examples:

Program

Description

molfilter.py

basic filtering for a molecule file

quietfilter.py

silencing OEFilter logging messages

molproptable.py

generating tabular output of all molecular properties

specificmolprop.py

extract specific property (Lipinski violations) from table output

molpropsddata.py

attach molecular properties as SD data

molpropcsv.py

write molecular properties to a CSV file

Examples: