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🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains

C++ 25 5 Updated Jul 29, 2021

⛔️ DEPRECATED – See https://github.com/ageron/handson-ml3 instead.

Jupyter Notebook 25,443 12,894 Updated Oct 3, 2023

Create DSSP and HSSP files

C++ 89 19 Updated Jul 18, 2024

libLBFGS: a library of Limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS)

C 578 198 Updated Jun 22, 2023

An open library for the analysis of molecular dynamics trajectories

Python 645 288 Updated Jun 14, 2025

Source code examples from the Parallel Forall Blog

HTML 1,290 637 Updated Jul 23, 2024
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