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charmm2gmx

An updated version of charmm2gmx.py script that works in my python3 environment, and with the setup I have. This may be helpful for other people as well, but mostly I just want it here so I never lose it

journal

https://RGambarini.github.io/Journal/

molly.jl

Molecular simulation in Julia

packing-generation

Hard-sphere packing generation with the Lubachevsky–Stillinger, Jodrey–Tory, and force-biased algorithms and packing post-processing.

scienceforum

shareable-data

solmod.jl

SolMod is a package used for the prediction of solubility focused on creating ternary phase diagrams for pharmaceutical solubility of enantiopure drugs.

tildesley-computer-simulation-of-liquids

Sample code from Allen & Tildesley's Computer Simulation of Liquids, 1st Ed. See https://github.com/Allen-Tildesley/examples for modernized and updated examples from the 2nd edition.

wineglasspicker_ai

youmustcode

ziglings-on-colab

Zig is a general-purpose programming language and toolchain for maintaining robust, optimal, and reusable software. Ziglings are tiny broken programs written in zig that can be used to learn the language. This serves as an extension of the repo https://codeberg.org/ziglings/exercises to provide a Google Colab notebook for the exercises