Smilite Versions Save

A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database

v2.3.0

3 years ago

VERSION 2.3.0 (06/10/2020)

  • Fixes ZINC URL in lookup_smile_str.py
  • Adds an optional command line parameter (with arguments zinc15 or zinc12) for lookup_smile_str.py

v2.2.0

3 years ago
  • Provides an optional command line argument (zinc15) to use ZINC15 as a backend for downloading SMILES

2.0.0

10 years ago

New SQLite features.

1.3.0

10 years ago

Now with scripts and functions to identify duplicate SMILE strings across 2 files.

1.2.0

10 years ago

Now with Python 2.x support