#scientific-computing

Rust numeric library with high performance and friendly syntax

ODE solver library in Rust

Generate realistic PDB files with mixed secondary structures for testing, education and bioinformatics tool development. Jupyter Notebook tutorials are available to visualize the concepts..

Bringing AI practically to science!

A high-performance automatic differentiation library for Rust

Generate realistic PDB files with mixed secondary structures for testing, education and bioinformatics tool development. Jupyter Notebook tutorials are available to visualize the concepts..

a python package for the interfacial analysis of molecular simulations

Input/Output for many mesh formats in blazing fast C++ 🚀

Differentiable biophysical modeling in JAX (SAXS, NMR, CD), with Jupyter Notebook examples.

NMR spectroscopy calculations for protein structures. Jupyter Notebook tutorials are available to visualize the concepts.

Fast no_std Rust library for evolution equations and PDEs via Chernoff approximation of operator semigroups — heat, Schrödinger, diffusion, graph & manifold operators. Bindings for C, Python, and WebAssembly.