Search Results for "materials science"

FAIRChem is a unified library for machine learning in chemistry and materials, consolidating data, pretrained models, demos, and application code into a single, versioned toolkit. Version 2 modernizes the stack with a cleaner core package and breaking changes relative to V1, focusing on simpler installs and a stable API surface for production and research. The centerpiece models (e.g., UMA variants) plug directly into the ASE ecosystem via a FAIRChem calculator, so users can run relaxations,...

Typically, to program a GUI is time consuming and requires experience with graphic libraries. OpenNum lets you create a graphical interface adapted to your solvers by simply editing an XML configuration file. More specifically, OpenNum lets you · to collect a hierarchical dataset, · to call any executable file and · to visualize scalar and vector fields, plot graphs or show simple plain text files. It also has other useful utilities specifically designed for numerical...

...Advanced sections touch on neural networks and distributed computing topics, helping you bridge from basics to production-adjacent workflows. The collection is suitable for self-paced study, quick reference, or as teaching materials in workshops. By combining narrative explanations with executable code, it shortens the path from theory to working prototypes.

hemcuveGUI is a graphical interface for HEMCUVE++ (see http://tsc.unex.es/~llandesa/page17/page17.html). More specifically, hemcuveGUI lets you · to collect all the data required by HEMCUVE++, · to manage a materials database, · to call the external executable HEMCUVE++ and · to visualize its results.