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rdkit-0.4.12
RDKit
A high-level library for performing common RDKit tasks such as SMILE parsing, molecule normalization, etc. Uses the low-level C++ API with bindings from rdkit-sys.
Provides Molecule and Fingerprint along with some benchmarks proving speed. Concepts in this RDKit may not
correspond one-to-one with RDKit C++ concepts. For a more accurate correspondence, consider using the rdkit-sys bindings
directly.
Prerequisites
On a Mac:
brew install rdkit