RDKit2DotNetStandard 1.0.37

RDKit2DotNetStandard

C# wrapper for RDKit - Release Windows x64

Description

RDKit2DotNetStandard is a .NET Standard library that provides a C# wrapper for RDKit, a powerful open-source cheminformatics and machine learning toolkit. This package allows .NET developers to leverage RDKit's capabilities in their applications.

Compatibility

This library is built on .NET Standard 2.0 and is compatible with:

• .NET Framework 4.8+
• .NET Core 3.1+
• .NET 5.0+
• Any platform that supports .NET Standard 2.0

Installation

Install the package via NuGet Package Manager:

Install-Package RDKit2DotNetStandard

Or via the .NET CLI:

dotnet add package RDKit2DotNetStandard

Usage

After installation, you can start using RDKit functionalities in your C# code. Here's a simple example:

using GraphMolWrap;

// Your RDKit code here
// For example:
var mol = RWMol.MolFromSmiles("c1ccccc1");
var view = getDrawer(mol, width, height);

// if you want to view the image through Web APIs
return Results.File(view.getImage().ToArray(), "image/png");

public static MolDraw2DCairo getDrawer(RWMol mol, int width, int height)
{
    var drawer = new MolDraw2DCairo(width, height);
    drawer.drawOptions().maxFontSize = 10;
    drawer.drawMolecule(mol);
    drawer.finishDrawing();
    return drawer;
}

Build Information

• Built using bp-kelley/rdkit-csharp

License

This project is licensed under the BSD 3-Clause License.

Support

For issues and questions, please open an issue on the GitHub repository.

Acknowledgements

This wrapper is based on the RDKit project. For more information about RDKit, visit RDKit.org.

Author

Priyanku Biswas