Top 20 NuGet chemistry Packages
NCDK is C# implementation of the Chemistry Development Kit (CDK), which is an open-source library of algorithms for structural cheminformatics and bioinformatics.
Nature is an open source library for computing thermochemical and kinetic properties of complex gas mixtures. The library supports the CHEMKIN data format and a native script for defining complex gas mixtures. Nature is written in C# and does not depend on any third party tool or library.
RDKit Cheminformatics Software Toolkit Note: Supports AnyCPU (x86 and x64). To initialize ( in order to find the dlls ): using GraphMolWrap; ... RDKit.Initialize();
Library of tools for analyzing proteomic and mass spectrometry data in .NET