v1.2.0
·
1951 commits
to master
since this release
NEW
- Conda yml file is provided to ensure an easy and quick setup of an environment containing all required packages
IMPROVEMENTS
- Use new RDKit function to generate fingerprints (http://rdkit.org/docs/source/rdkit.Chem.rdFingerprintGenerator.html)
- T4: scatter plots added, comparing similarity values based on different fingerprints (Morgan/MACCS) and different similarity measures (Tanimoto/Dice)
- Add and clearify explanatory text
FIXES
- Typos fixed
- Style/formatting inconsistencies removed