Library for processing of chemistry related files (aiming at spectroscopy and structural files)
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Updated
Jun 13, 2024 - C#
Library for processing of chemistry related files (aiming at spectroscopy and structural files)
MCP server for Claude: molecule names or SMILES → publication-style 2D structure drawings (PNG/SVG, offline via RDKit), reaction schemes, curved-arrow mechanisms and schematic spectra. Optional ChemDraw CDXML export — unofficial, not affiliated with Revvity.
Enables Mac roundtrip editing for ChemDraw scheme-contaning PowerPoints made in Windows
This repository provides a unified FastAPI and MCP wrapper for an API that converts between ChemDraw chemical names and SMILES.
Website for the LaTeX and ChemDraw tips published in the Exsikkator, the student magazine of VCS
Open-source chemistry structure editor focused on CDXML fidelity and Office workflows.
Python tool to convert 2D structures drawn in ChemDraw or similar programs saved as *.mol files into 3D Gaussian input files with realistic bond lengths and geometries//Converte strutture molecolari 2D disegnate in ChemDraw o programmi simili e salvate come file *.mol in file di input 3D per Gaussian, con lunghezze di legame e geometrie realistiche
Download ChemDraw Professional for advanced chemical drawing and editing. Generate IUPAC names, predict properties, and integrate with other research tools. Essential software for chemists and biologists in academia and industry.
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