AutoPaDELPy

This is an alpha release

Full Changelog: v1.0-alpha...v1.1-alpha

AutoPaDELPy version alpha

In this pre-release the general idea of the software is being shown.

It is possible to calculate fingerprint, bidimensional and tridimensional descriptors as allowed by PaDELPy. The input is added at command line, using the path and name of file. Your dataset need to have the format 'smiles,molecule_id'.