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Stars

MD

7 repositories

pb3lab / ibm3202

Google Colab Tutorials for IBM3202

Jupyter Notebook 254 86 Updated Nov 6, 2024

jax-md / jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

Jupyter Notebook 1,222 204 Updated Nov 26, 2024

CCPBioSim / python-and-data-workshop

Workshop that goes beyond beginner's python to give Jupyter use, intermediate python and data handling with pandas and matplotlib

HTML 6 3 Updated Sep 25, 2019

AngelRuizMoreno / Jupyter_Dock

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

Jupyter Notebook 263 67 Updated Oct 30, 2023

molmod / openmm-tutorial-msbs

OpenMM tutorial for the MSBS course

Jupyter Notebook 158 44 Updated Feb 3, 2025

pritampanda15 / Molecular-Dynamics

Self explained tutorial for molecular dynamics simulation using gromacs

Shell 20 9 Updated Nov 16, 2024

alchemistry / alchemical-best-practices

Best practice document for alchemical free energy calculations going to livecoms journal

Jupyter Notebook 66 18 Updated Dec 13, 2024