A free and open source cross-platform library designed to provide developers with a collection of chem-informatics and machine learning tools. #Cheminformatics learning #Machine learning library #Chem-informatics library #Machine learning #Chem-informatics #Toolkit
RDKit is a free and open source collection of machine learning and chem-informatics software written in C++ and Python.
What's new in RDKit 2014.09.2:
- Bug Fixes:
- SMILES parser doing the wrong thing for odd dot-disconnected construct (github issue #378)
- O3A code generating incorrect results for multiconformer molecules (github issue #385)
- Suppliers probably not safe to read really large files (github issue #392)
RDKit 2014.09.2
add to watchlist add to download basket send us an update REPORT- runs on:
- Mac OS X (-)
- file size:
- 24.9 MB
- filename:
- Release_2014_09_2.zip
2 screenshots:
- main category:
- Math/Scientific
- developer:
- visit homepage
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