NCDK is .NET port of the Chemistry Development Project (CDK). Functionality is provided for many areas in cheminformatics.
NCDK is covered under LGPL v2.1. The modules are free and open-source and is easily integrated with other open-source or in-house projects.
The current release is based on CDK 2021-01-31 snapshot.
Most of codes are written in C#. You can learn NCDK from CDK documents, NCDKTests and NCDKDisplayTests project.
- NCDK -- Core module of NCDK.
- NCDK.Display -- Depiction module of NCDK. It is based on WPF.
- NCDK.RDF --- RDF functions.
- NCDK.Legacy --- Legacy modules.
- NCDK.Tests -- Unit tests for NCDK.
- NCDK.DisplayTests -- Unit tests for NCDK.Display.
- NCDK.RDFTests --- Unit test for NCDK.RDF.
- NCDK.LegacyTests --- Unit test for NCDK.Legacy.
- MolViewer -- MOL file viewer, which can depict SMILES. It includes WPF control to show molecular/reaction.
- Documentation -- Sandcastle Help File Builder project.
Windows: Open Developer Command Prompt for VS 2022, and launch BuildAll.bat.
Linux (.NET): To build NCDK.dll, launch dotnet build --framework netstandard2.0 in NCDK directory.
Windows: Launch vstest.console.exe NCDK.Tests\bin\Release\net5.0\NCDK.Tests.dll and vstest.console.exe NCDK.DisplayTests\bin\Release\NCDK.DisplayTests.dll.
Linux: Launch dotnet build to build assemblies and copy libinchi.so.#.## to output directory of NCDK.Tests, and make a link of libinchi.so to the libinchi.so.#.##.
And then, launch dotnet test in NCDK.Tests directory to test it.
- NCDK -- for .NET Standard 2.0 and .NET 7.0. InChI features work only on Intel-based Windows or Intel-based Linux system.
- NCDK.Display -- for .NET Framework 4.8.
Copyright (c) 2016-2023 Kazuya Ujihara