Search Results for "python application template"

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,...

Flax is a flexible neural-network library for JAX that embraces functional programming while offering ergonomic module abstractions. Its design separates pure computation from state by threading parameter collections and RNGs explicitly, enabling reproducibility, transformation, and easy experimentation with JAX transforms like jit, pmap, and vmap. Modules define parameterized computations, but initialization and application remain side-effect free, which pairs naturally with JAX’s staging...