chemdraw

Draw chemistry from chat: names or SMILES → publication-ready 2D structures, reaction schemes and curved-arrow mechanisms. PNG/SVG rendered offline with RDKit. MCP server for Claude Desktop (unofficial; CDXML export optional).

ChemDraw Skill for any AI agent: editable chemical structures, SAR and substrate-scope figures, paper figure reconstruction, and ChemDraw automation via MCP or Python/CLI.

Library for processing of chemistry related files (aiming at spectroscopy and structural files)

This repository provides a unified FastAPI and MCP wrapper for an API that converts between ChemDraw chemical names and SMILES.

Enables Mac roundtrip editing for ChemDraw scheme-contaning PowerPoints made in Windows

Open-source chemistry structure editor focused on CDXML fidelity and Office workflows.

Automatic Numbering Molecule Word Document

Parse CDX and CDXML files directly in the browser. Extract structures and reactions with InChI, SMILES, RInChI, and formulas. Export instantly to JSON, SDF/Mol, TSV, and images—no installation or coding required.

Codex skill for reconstructing chemical figures as editable PowerPoint with native ChemDraw objects.

ChemDraw MCP server and Python toolkit for editable CDXML, chemical structure drawing, SAR figures, reaction schemes, and RDKit validation.

Generate ChemDraw CDXML colormap for up to 12x8 well screening data

AI agent skills for chemistry and life sciences: NMR/Mnova, GraphPad Prism IC50 analysis, ChemDraw, compound characterization, and Illustrator scientific figures. 化学与生命科学科研技能。

Website for the LaTeX and ChemDraw tips published in the Exsikkator, the student magazine of VCS

Local MestReNova MCP bridge and Codex Skill for auditable NMR analysis, letter-labeled assignments, verification, and synthetic FID generation

Random tutorials (RDKit, GPR)

A benchmark for hard Optical Chemical Structure Recognition: 309 bridged / spiro / macrocyclic / stereo-dense / coordination compounds, drawn in 7 journal styles with 5 geometric variants each.

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

Converts Excel SMILES lists into SDF files with 2D molecular coordinates for ChemDraw.

Paste ChemDraw structures into Inkscape as editable vector graphics - including round trip editing

Extracts CDX binaries from Keynote documents archiving images in .pict format (older ChemDraws)