Focused workflow

OpenQP input builder

Build OpenQP inputs in the browser, then run them on your own Windows, macOS, or Linux machine.

Runs stay on your computer: download a runnable package, unzip it, then run OpenQP from your own installation.

Prompt builder

Generate settings from plain text

OpenQP Web

Describe a local OpenQP input. I can set workflow, molecule, method, basis, states, charge, multiplicity, and viewer mode without using an API key.

Input settings

Configure files

Job name Molecule preset

Search PubChem name or CID Enter a compound name or PubChem CID to import geometry. Search PubChem for the right molecule.

XYZ coordinates

Load .xyz Preset molecule loaded

Charge Multiplicity

Method family Functional

Basis set

States i-state j-state

SCF convergence Notes

Integrated viewer

Water

View

Labels Numbers Axis Spin

Local data import

Load structure from viewer files

Choose XYZ, log, Molden, cube, or JSON Paste molecular data

Files are processed locally in this browser. True cube/Molden isosurface rendering remains in the advanced viewer.

Advanced cube/Molden isosurface viewer

Run

Run on this computer

Use your local OpenQP installation

Start the local runner for one-button execution, or download a runnable package with the `.inp`, `.xyz`, launcher script, and README. Nothing is uploaded.

Direct local run setup Guided setup for installing OpenQP, starting the runner, pairing this page, and running the job.

Pairing code

Open setup, start the runner, then paste the pairing code to enable direct run.

Operating system

Local files stay on your computer. Nothing is uploaded for this run path.

Generated files

Download the input files

Open analysis page

Expected local output

Local run results

Preview only: run the downloaded files locally, then open the analysis page with your output.