aiidateam / aiida-coreLinks
The official repository for the AiiDA code
☆539Updated this week
Alternatives and similar repositories for aiida-core
Users that are interested in aiida-core are comparing it to the libraries listed below
Sorting:
- Powerful, efficient particle trajectory analysis in scientific Python.☆315Updated this week
- pyiron - an integrated development environment (IDE) for computational materials science.☆438Updated 3 months ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Updated last year
- The official AiiDA plugin for Quantum ESPRESSO☆74Updated 2 months ago
- A simple, robust and flexible just-in-time job management framework in Python.☆171Updated last week
- DFTB+ general package for performing fast atomistic simulations☆412Updated this week
- atomate2 is a library of computational materials science workflows☆278Updated last week
- C library for finding and handling crystal symmetries☆353Updated last month
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆380Updated last week
- The Fireworks Workflow Management Repo.☆420Updated 2 months ago
- jobflow is a library for writing computational workflows.☆118Updated this week
- A simulation package of phonon-phonon interaction related properties☆155Updated 2 weeks ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆209Updated this week
- A code to generate atomic structure with symmetry☆356Updated last week
- Open-source library for analyzing the results produced by ABINIT☆135Updated 3 weeks ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆458Updated 4 months ago
- A distributed compute and database platform for quantum chemistry.☆159Updated this week
- Phonon code☆456Updated this week
- A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.☆278Updated 2 months ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆253Updated this week
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆446Updated last week
- Parsers and algorithms for computational chemistry logfiles☆388Updated last week
- Specification of a common REST API for access to materials databases☆101Updated this week
- Computational Crystallography Toolbox☆277Updated this week
- An open-source Python package for creating fast and accurate interatomic potentials.☆340Updated this week
- An automatic engine for predicting materials properties.☆169Updated 2 years ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆274Updated last week
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆191Updated this week
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆180Updated 2 weeks ago
- Materials science with Python at the atomic-scale☆229Updated last week