Search Results for "library stack"

This is the main repository for the SciPy library, one of the core packages that make up the SciPy stack. SciPy is an open source software used in the fields of mathematics, science, and engineering, with modules for statistics, optimization, integration, linear algebra, signal and image processing, and many more. The SciPy library contains many of the user-friendly and efficient numerical routines, including those for numerical integration, interpolation, and optimization. ...

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, molecular dynamics, spin-state energetics, and surface catalysis workflows with the same pretrained network by switching a task flag. ...