[ITS'21] Human Trajectory Forecasting in Crowds: A Deep Learning Perspective

Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables

Stand-alone thermochemistry in python for ORCA and Gaussian.

Plots absorption spectra from from ORCA output files

Plots IR spectra from from ORCA output files

Home Assistant integration with Orca Energy

a simple but powerful pluginsystem for the orca screenreader

An ORCA helper in python

Scrape Prometheus metrics, export them as csv files and generate plots

Analyzes the section 'LOEWDIN REDUCED ORBITAL POPULATIONS PER MO' in ORCA output files.

Align atomic coordinates in xyz files. Align one or more atoms to x-, y- and z-axes. Set origin to a selected atom or a centroid of selected atoms. Rotate atomic coordinates about arbitrary angles. Translate atomic coordinates.

Utility functions/classes for the TheoCheM programs

Some ORCA 5.0 scripts i use in my workflow

A Graphical User Interface (GUI) designed to streamline the creation and analysis of files generated by the ORCA computational chemistry package.

Parsing and plotting of excited state calculations from Gaussian/Turbomole/ORCA.

使用 python 调用 ORCA 进行理论化学的计算，并封装了常用计算方法。DFT/量子化学/理论计算/理论化学/第一性原理

Easily transfer selected states from ORCA output files into tables

Python reimplementation of ORCA algorithm.

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

Origen is the ORCA Input Generator. You know what it does, right?