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Psivant / stormm

C++ 41 3 Updated Jan 16, 2025

soimort / you-get

⏬ Dumb downloader that scrapes the web

Python 55,120 9,727 Updated Jan 4, 2025

zotko / xyz2graph

Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.

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MobleyLab / SeparatedTopologies

Exploratory work on free energy calculations with GROMACS using "separated topologies" approach (Rocklin et al., 2013).

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yb / atom-picker

JavaScript 1 1 Updated Jul 17, 2023