COSMolKit Tools

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TOOL DIRECTORY

Free Browser-Based Cheminformatics Tools

Powered by Rust and the open-source COSMolKit cheminformatics library, these molecular tools run locally through WebAssembly.

6 available7 tools
AVAILABLE
MOLECULE DEPICTION

SMILES to SVG

Render 2D molecular structures from SMILES and export scalable SVG files.

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AVAILABLE
MOLECULAR I/O

Molecular format converter

Convert SDF to SMILES, SMILES to SDF, MOL2 to PDB, mmCIF files, XYZ coordinates, and more.

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AVAILABLE
3D COORDINATES

SMILES to 3D conformer

Generate ETKDG 3D conformers from SMILES and export SDF or PDB structures.

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AVAILABLE
CHEMICAL IDENTIFIERS

InChI and InChIKey converter

Generate standard InChI and InChIKey values or parse InChI back to molecular structures.

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AVAILABLE
MOLECULAR DESCRIPTORS

Molecular properties calculator

Calculate formula, molecular weight, exact mass, TPSA, logP, HBD, HBA, rotatable bonds, and charge.

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AVAILABLE
SMILES NORMALIZATION

SMILES canonicalizer

Generate canonical, isomeric, and kekulized SMILES and inspect hydrogen count and formal charge.

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CORE PENDING
COMPOUND FILTERS

Check PAINS

Screen molecular structures for pan-assay interference compound patterns.

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Available cheminformatics tools are powered by Rust and execute locally in your browser through WebAssembly.

COSMolKit Tools

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