DiffAtOnce: Molecular Diffusion

Download and source code

DiffAtOnce is distributed as research software linked to the FUNPOLYMER project. It is not a standard commercial product, but an advanced tool intended to help the scientific and industrial community adopt the methodologies developed within the project.

We are currently in the testing and validation phase of a cross-platform desktop application (Windows, macOS and Linux). Once this phase is completed, official installers will be made available here. In the meantime, the full source code and dynamic libraries can be used directly from the repositories listed below.

Desktop version (under validation)

The DiffAtOnce desktop application is being compiled and tested specifically for Windows, macOS and Linux, integrating all Laplace inversion, universal calibration and molecular-weight prediction modules. This section will provide direct download links once internal validation is completed.

If you need early access to DiffAtOnce, you can build the application from the available source code or contact the development team.

Windows

Validation is being carried out on Windows 10 and Windows 11 (64 bit). The desktop version will include an installer with the required .NET runtimes and optional NVIDIA GPU acceleration support when available.

macOS

Tests are being performed on macOS both on Intel and Apple Silicon processors. The application will be distributed as a signed package once validation and version compatibility checks are completed.

Linux

The application is being tested on Debian/Ubuntu-based distributions and derivatives. Installation is performed through packages and scripts that handle the usual dependencies (.NET libraries, Python and GPU drivers when required).

Source code and dynamic libraries

The implementation of the dynamic libraries in the three planned languages .NET, MATLAB and Python has been successfully completed. These libraries allow advanced users to directly access all algorithms and features implemented (ILT solvers, universal calibration, molecular-weight prediction, AI models, etc.), enabling custom developments tailored to specific needs.

The project source code is publicly available on GitHub:

In addition, the website www.diffatonce.com describes the project and its functionalities in an accessible online environment, from which the repositories can also be reached.

Use of the code is governed by the specific license indicated in each repository. Users are free to use, modify and extend DiffAtOnce and its modules in accordance with those licenses, and should properly cite the FUNPOLYMER project and the related publications in any scientific work or derivative development.