Awesome Open Source
Search
Programming Languages
Languages
All Categories
Categories
About

The Top 7 Quantum Chemistry Gaussian Open Source Projects

Open source projects categorized as Quantum Chemistry Gaussian
Categories > Gaussian
Categories > Science > Quantum Chemistry
Hartreefock ⭐ 41
A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
most recent commit 9 months ago
Aarontools.py ⭐ 33
Python tools for automating routine tasks encountered when running quantum chemistry computations.
total releases 19most recent commit 4 months ago
Chemtools ⭐ 16
Python tools for quantum chemical calculations
total releases 4most recent commit 6 months ago
Thermoanalysis ⭐ 10
Stand-alone thermochemistry in python for ORCA and Gaussian.
most recent commit 2 years ago
Easymecp ⭐ 9
Python utilities for performing MECP (Minimum Energy Crossing Point) with Gaussian
most recent commit 3 years ago
Orca_uv ⭐ 9
Plots absorption spectra from from ORCA output files
most recent commit 6 months ago
Vscode Gaussian Input File Support ⭐ 7
Syntax highlight support for Gaussian input file (*.gjf) for VSCode
most recent commit 5 months ago
The 2 Latest Releases In Quantum Chemistry Gaussian Open Source Projects
Chemtools ⭐ 16
Python tools for quantum chemical calculations
total releases 4latest release November 25, 2020most recent commit 6 months ago
Categories
Privacy | About | Terms | Follow Us On Twitter

Downloads, Dependent Repos, Dependent Packages, Total Releases, Latest Releases data powered by Libraries.io.

Copyright 2018-2024 Awesome Open Source.  All rights reserved.