molfile

Web-based molecule sketcher

Universal cheminformatics toolkit, utilities and database search tools

React components integrating OpenChemLib

Free open-source chemical structure editor: draw molecules and reactions, fill in reagent tables. Opens and saves ChemDraw files (CDX, CDXML) and works with Word. Runs in the browser and offline on Windows, Mac and Linux.

Parser for chemical table file (CTfile) a family of text-based chemical file formats (e.g. Molfile, SDfile) that describe molecules and chemical reactions.

Demiurge is a Python tool for generating ML input data from simulated ¹H/¹³C NMR spectra or ECFP4 fingerprints. It uses local NMRshiftDB2 prediction and RDKit, producing ML-ready CSVs from SMILES in minutes.

MOLecular RENderer: Turn plain-text chemistry into pictures, right inside your notes. Write a SMILES string (or a molfile, SDF, or reaction) in a code block and Molren draws the 2D structure inline

An encoder for fragmental code of substructures superposition (FCSS). FCSP is historical name obtained by transilteration