The Molecular Sciences Software Institute

QikProp Processor v0.0.0

QikProp v3.0 Computation

QikProp v3 has been provided by William L. Jorgensen and hosted as a service by the Molecular Sciences Software Institute (MolSSI). To report a problem or suggest improvements, please open an issue on the Project GitHub. Additional features and options will be added over time.

MolSSI thanks William L. Jorgensen and Schrödinger for the licensing of this software as a service.

QikProp as a Service CLI tool

This QikProp as a Service is now available as a PyPI or Conda-Forge installable CLI tool which supports multi-file input and wraps the service's API endpoints.

Via Conda-Forge: conda install -c conda-forge qikpropservice Package GitHub Feedstock Link
Via PyPI/pip: pip install qikpropservice PyPI Package Link