Text to 3D Molecule From a name or a description, free

Type the name of a compound, or describe a new or modified small molecule, and the AI turns it into a 3D structure in the viewer. Known compounds load from PubChem. For anything else the AI writes a SMILES string, and the tool adds hydrogens, generates 3D conformers and relaxes them with the MMFF94s force field before the result opens as ball and stick.

Free. Use your own Anthropic or OpenAI key.

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An example structure

A sample file from the viewer, from the same sources the AI uses: PubChem, the Protein Data Bank, the Crystallography Open Database or a textbook lattice.

Download the SDF file

Watch how it works

How it works

  1. 1. Describe it or add a photoType what you want in plain words, with sizes if you know them, or add a photo as a reference. Describe an object or a person.
  2. 2. The AI builds and checks itThe AI writes an OpenSCAD program for an object, or sets up the character generator for a person. It looks at six rendered views of the result and fixes what is wrong, up to five builds per message.
  3. 3. Refine and exportThe model opens in the viewer at real size. Ask for changes in the chat, move the sliders, then download it or pick a format from the Export menu.

Why make it with AI here

  • Common, IUPAC, drug and trade names all work, because known compounds are looked up in PubChem.
  • Modified and new molecules, specific isomers and charge states are built from SMILES and checked for formula, R/S and E/Z labels, strain and atom clashes.
  • The AI compares a 2D drawing of each result with your request and corrects the structure if it does not match.

Prompts to try

Click one to open it in the AI panel, then change the sizes to suit.

Getting the molecule out

  1. Download the SDF from the version list in the AI panel; a molecule built from SMILES keeps its SMILES in the file.
  2. Open the SDF in Avogadro, PyMOL, ChimeraX or another chemistry program.
  3. For a 3D model, open the Export menu and choose GLB, STL, OBJ or USDZ, or save a PNG of the view.

A molecule built from SMILES is a computed model: the lowest-energy conformer the tool found, which can differ from the shape in a crystal or bound to a protein. PubChem's 3D conformers are computed models as well.

Best export formats: GLB, STL, OBJ, PNG

Open Text to 3D Molecule files in the free Text to 3D Molecule viewer

Good to know

Small molecules only, up to about 600 atoms with hydrogens. Metal complexes cannot be built from SMILES; ask for them as crystals, which come from the Crystallography Open Database.

Cost and privacy

You use your own Anthropic or OpenAI API key. It is stored only in your browser and sent only to that provider, which bills you directly: a model typically costs $0.05 to $0.30 at Standard quality and up to about $1 at Detailed, and Innerscene charges nothing. Your key and prompts are not sent to Innerscene; we record anonymous usage statistics such as the steps used, the model chosen, token counts, a cost estimate and whether a model was made.

How to get an Anthropic or OpenAI API key

Read the full guide: API keys, refining and exporting

Questions

▶How does it turn text into a 3D molecule?
For a named compound the AI looks it up in PubChem and loads its 3D conformer. For a new or modified molecule it writes a SMILES string, and the tool builds 3D conformers, relaxes them with MMFF94s and keeps the lowest in energy.
▶Is the 3D structure accurate?
Bond lengths and angles come from the MMFF94s force field, and the formula, stereochemistry, strain and clashes are checked, so the shape is a sound computed model. It is one low-energy conformer in a vacuum, so it may differ from an experimental structure.
▶Does it get stereochemistry right?
The report lists the R/S and E/Z label of every stereocentre and double bond, and the AI checks them against your request. Name the isomer you want, for example (S)-ibuprofen or cis-2-butene.
▶What file do I get?
An SDF with 3D coordinates, hydrogens and bond orders; a molecule built from SMILES also carries its SMILES as a data field. The Export menu also makes GLB, STL, OBJ, USDZ and other 3D formats.

What it can make

Floor plans and layouts

Molecules, proteins and crystals

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