NVIDIA / accelerated-computing-hub

NVIDIA curated collection of educational resources related to general purpose GPU programming.

3dmol / 3Dmol.js

WebGL accelerated JavaScript molecular graphics library

huggingface / optimum-intel

🤗 Optimum Intel: Accelerate inference with Intel optimization tools

jax-md / jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics