Top 20 NuGet cheminformatics Packages

NCDK is C# implementation of the Chemistry Development Kit (CDK), which is an open-source library of algorithms for structural cheminformatics and bioinformatics.
Depiction module of NCDK
Universal cheminformatics toolkit
RDKit Cheminformatics Software Toolkit Note: Supports AnyCPU (x86 and x64). To initialize ( in order to find the dlls ): using GraphMolWrap; ... RDKit.Initialize();