Highlights
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quickice
quickice PublicA portable GUI application for generating ice structures, ice-water interfaces, hydrate systems, export to full GROMACS-ready format, providing an interface for basic GenIce2 functions with more fo…
Python
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ipy_JSME_SMARTS-pattern-search
ipy_JSME_SMARTS-pattern-search PublicA simple demo of using RDKit to highlight a custom set of substructures in a query molecule. List of substructures can be provided in a file uploaded by the user. Query molecule is drawn by the use…
Jupyter Notebook
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cp-gsd-opencode
cp-gsd-opencode PublicForked from rokicool/gsd-opencode
GSD by TACHES OpenCode, Port by Roman, Adapted for Custom Permission Settings and Bash-only simple Installation
Shell
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AA-match
AA-match PublicA matching game of small molecule and biomolecular interactions based on common (bio-)molecular viewer.
Python
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serpentrum
serpentrum PublicClassical snake game in (bio-) molecular viewer stacking molecules, as an analogue of "self-assembly and spectra calculation".
Python
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