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Built with OCC

OCC powers several applications and tools in the computational chemistry community. Here are some examples of projects using OCC.

CrystalExplorer

CrystalExplorer is a comprehensive tool for investigating intermolecular interactions and crystal packing using Hirshfeld surface analysis.

OCC Integration:

  • Crystal structure analysis and visualization
  • Intermolecular interaction energy calculations
  • Surface property computations
  • Energy decomposition analysis

Website: crystalexplorer.net

CrystalExplorer
Wavefunction Calculator

Wavefunction Calculator

The Wavefunction Calculator is a web-based tool for quantum chemistry calculations.

OCC Integration:

  • In-browser DFT calculations via WebAssembly
  • Real-time wavefunction analysis
  • Interactive molecular property calculations
  • Electron density visualization

Website: prs.wiki/utilities/wavefunction-calculator


Use OCC in Your Project

OCC is open source and available for integration into your own applications:

Command Line

Install and use OCC for computational chemistry workflows.

C++ API

Integrate OCC's computational capabilities directly into your C++ applications. API Documentation

WebAssembly

Run OCC calculations directly in the browser with no installation required.

Python API

Use OCC from Python for scripting and automation workflows. PyPI Package

Contributing

Interested in contributing to OCC or building something with it? Check out the GitHub Repository, Tutorials, or API Documentation.