Orca Python Packages

goodvibes

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

pyrvo

Python binding for ORCA (Optimal Reciprocal Collision Avoidance) library.

orcacal

test

orca-agent-skills

Agents should execute whenever possible — runtime for composable AI agent skills

orca-descriptors

A Python library for automatic calculation of quantum chemical descriptors for QSAR analysis using ORCA quantum chemistry software

orca-mlips

MLIP plugins for ORCA ExtTool (UMA, ORB, MACE, AIMNet2)

pyqrc

Quick Reaction Coordinate: normal mode displacement of transition structures

wailord

An ORCA helper in python