Dear Authors,
Are you able to provide examples of the correct input/output formats for the input library for the Design Enumeration and other examples shown in the documentation.
I would like to know what is the minimum data content so that I can reduce the file sizes.
I stripped most of the columns but a smiles and an ID column from the output from the library synthonisation. It seems to work without all extra columns.
Many thanks,
mike
Dear Authors, Are you able to provide examples of the correct input/output formats for the input library for the Design Enumeration and other examples shown in the documentation.
I would like to know what is the minimum data content so that I can reduce the file sizes. I stripped most of the columns but a smiles and an ID column from the output from the library synthonisation. It seems to work without all extra columns.
Many thanks, mike