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Atomiverse Documentation

Browser-native chemistry workspace

Load, build, run, and script — all in one place.

Atomiverse brings molecular visualization, structure editing, and quantum chemistry calculations together in the browser. Pick a section below to get started.

View Mode

Load a structure, inspect it in 3D, measure geometry, and compare trajectories.

Go to View Mode →

Build Mode

Create molecules from scratch, insert fragments, adjust bonds, and relax geometries.

Go to Build Mode →

Run Mode

Run energy calculations, geometry optimizations, vibrational analysis, and scans.

Go to Run Mode →

Python SDK

Submit calculations and retrieve results from Python. Includes API key setup and full examples.

Go to Python SDK →

Bring Your Own Compute

Run jobs on your own hardware — a local machine, workstation, or HPC cluster.

Go to BYOC →

Pricing

See managed and BYOC core-hour rates plus details for academic BYOC access.

Go to Pricing →

Where to Start​

  • New to Atomiverse? Open View Mode to load a structure and explore the interface.
  • Want to edit a molecule? Switch to Build Mode to modify geometry, add atoms, or insert fragments.
  • Ready to run calculations? Go to Run Mode for energies, optimizations, and more.
  • Need to organize compute history? Open Jobs to rename, filter, and delete terminal jobs from your compute dashboard.
  • Working from Python? The Python SDK lets you submit calculations and retrieve results programmatically.
  • Have your own hardware? Bring Your Own Compute lets you run jobs on your own machines.