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A collection of easyconfig files that describe which software to build using which build options with EasyBuild.

Python 396 717 Updated Feb 7, 2025

CPU Load Generator allows you to generate a fixed configurable CPU load for a finite time by means of PID regulator.

Python 127 65 Updated Aug 19, 2024

Practical Cheminformatics Tutorials

Jupyter Notebook 866 156 Updated Nov 17, 2024

🔬📚 Galaxy Tool wrappers

HTML 116 237 Updated Feb 5, 2025
Python 4 1 Updated Dec 20, 2023

blend molecules!

Python 37 7 Updated Jan 14, 2024
Jupyter Notebook 91 20 Updated Jan 29, 2022

A small library for automatically adjustment of text position in matplotlib plots to minimize overlaps.

Jupyter Notebook 1,526 89 Updated Oct 31, 2024

AutoDock Vina

C++ 659 223 Updated Feb 5, 2025

Force fields produced by the Open Force Field Initiative

Python 144 24 Updated Jan 7, 2025