Powerful Simulations

Quantistry Lab

The Quantistry Lab combines innovative cloud-based simulation technology with an intuitive user interface and the highest security standards. Whether simulating syntheses, designing novel materials, or predicting chemical or physical properties, computational chemistry has never been easier.

Workflow Designer

The heart of the Quantistry Lab is the workflow designer. Here, users can add chemical structures, digitize test series and start analyses with just a few clicks. Around 100 million molecules are available in the Compound Library. If the right one is not available, users can also upload their own compounds.


The Quantistry Lab has numerous functions that allow you to analyze chemical compounds and materials in detail. Be it the reaction of two molecules, retrosyntheses or simply spectral analyses. Furthermore, it is possible to simulate e.g. the acidity, viscosity or the energy content of a molecule, in order to be able to make reliable statements about the expected molecule or material properties.

  • IR
  • NMR
  • UV / Vis
  • Raman

Start today!

Schedule a free product demo and learn how our solution can help you make your R&D more efficient than ever.

Get in touch
  • Book a demo
  • Identify optimization needs in your research process
  • Digitalize your R&D
❯ http https://api.quantistry.com/v1/workflows/LxLKm9kSxo5QPOAEw

HTTP/1.1 200 OK
Content-Type: application/json;
Date: 2024-02-24
Server: Quantistry_Lab

  "name": "Spectral Analysis",
  "description": "IR, Raman, NMR, UV/Vis",
  "workflowID": "LxLKm9kSxo5QPOAEw",
  "is_favorite": false,
  "status": "pending",
  "created_at": "2021-11-02T10:02:58",
  "modified_at": "2021-11-02T10:02:58",
  "total_tasks": 6,
  "successful_tasks": 1,
  "metadata": {
    "project": {
      "name": "Analysis",
      "personal": true
    "creator": {
      "first_name": "Tony",
      "last_name": "Stark"


Our publicly documented RestfulAPI allows our customers to seamlessly integrate the Quantistry Lab into their existing system.