chem-solution-md
learningmatter-mit
Set up and run molecular dynamics simulations of molecules in explicit solvent boxes using Packmol for box construction and MLIPs for dynamics.
ChemistryClaude Code
161GitHub
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chem-db-spectra
learningmatter-mit
Search and download experimental InfraRed (IR), Mass spectra, and UV-Vis spectra data (JCAMP-DX format) for molecules.
ChemistryClaude Code
161GitHub
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