AiiDA plugin for Gaussian quantum chemistry software
☆12Feb 21, 2026Updated 2 months ago
Alternatives and similar repositories for aiida-gaussian
Users that are interested in aiida-gaussian are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Apr 8, 2026Updated 3 weeks ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated last year
- AiiDA plugin that makes running shell commands easy.☆17Jan 14, 2026Updated 3 months ago
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Dashboard to explore CoRE MOF database☆13Jul 5, 2020Updated 5 years ago
- Vantage point tree implementation in OCaml☆19Apr 22, 2025Updated last year
- Molar is a database management to make it easy to store experiment whether computational or not☆11Jul 15, 2022Updated 3 years ago
- molecular mechanics optimisation☆18Aug 28, 2023Updated 2 years ago
- Workflow for CONNectivity preserving Geometry Optimization☆11Sep 2, 2021Updated 4 years ago
- Benchmarks for different streaming models: iterators, generators, sequences, transducers, etc.☆15Aug 15, 2022Updated 3 years ago
- 2017-09-26 Linux source copied from Sourceforge. This is **not** the development repository.☆24Dec 28, 2021Updated 4 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆16Jul 6, 2023Updated 2 years ago
- OCaml bindings to libssh☆14Jan 3, 2016Updated 10 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- yet another WYSIWYG presentation editor☆13Feb 25, 2026Updated 2 months ago
- code for ZStruct-2☆15Aug 31, 2024Updated last year
- ☆14Aug 23, 2025Updated 8 months ago
- A Python implementation of the direct MaxFlux method for transition state search☆38Apr 12, 2026Updated 2 weeks ago
- ☆41Jan 17, 2025Updated last year
- A universal file format for gas adsorption experiments☆22Apr 17, 2026Updated last week
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- Learning Machine Learning☆13Aug 24, 2023Updated 2 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆45Feb 24, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A plugin to AiiDA for running simulations with VASP☆63Updated this week
- The d-SEAMS C++ core engine☆39Apr 7, 2026Updated 3 weeks ago
- GAIA automates the generation of reactive MLIP datasets for atomistic simulations.☆28Nov 20, 2025Updated 5 months ago
- Solve the N-D time-independent Schrödinger equation for a single particle.