Open-source library for analyzing the results produced by ABINIT
☆141Jun 6, 2026Updated last week
Alternatives and similar repositories for abipy
Users that are interested in abipy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆263May 23, 2026Updated 3 weeks ago
- Abinit tutorials based on AbiPy☆18Mar 30, 2022Updated 4 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆62Jun 4, 2026Updated last week
- Python framework for generating and validating pseudo potentials☆52Nov 8, 2023Updated 2 years ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆262Jul 18, 2024Updated last year
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Python Materials Discovery Framework☆76Feb 2, 2024Updated 2 years ago
- pyiron - an integrated development environment (IDE) for computational materials science.☆455Oct 13, 2025Updated 8 months ago
- Heavyweight plotting tools for ab initio calculations☆252Apr 9, 2026Updated 2 months ago
- Scripts to calculate elastic properties from a set of strained structures☆21Jul 3, 2024Updated last year
- A Python library for electronic structure pre/post-processing☆214Jan 29, 2026Updated 4 months ago
- A simulation package of phonon-phonon interaction related properties☆164Updated this week
- Phonon code☆481Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- This is the official GPL repository of the yambo code☆132Apr 29, 2026Updated last month
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆15Jul 26, 2022Updated 3 years ago
- A tool for creating and manipulating tight-binding models.☆42Mar 6, 2025Updated last year
- Data mining for materials science☆601Updated this week
- Ab initio simulator for thermal transport and lattice anharmonicity☆195May 29, 2026Updated 2 weeks ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Official repository of the Wannier90 code☆325May 5, 2026Updated last month
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆52Jun 1, 2026Updated last week
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆1,904Jun 3, 2026Updated last week
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Visualise lattice vibrations☆108Apr 4, 2026Updated 2 months ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆226Updated this week
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials☆34May 14, 2026Updated last month
- Advanced tool for Wannier interpolation and integration of k-space integrals☆118Updated this week
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆672May 3, 2026Updated last month
- MAterials Simulation Toolkit for use with pymatgen☆17Feb 21, 2024Updated 2 years ago
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- A software to calculate thermal conductivity quickly and accurately☆39Feb 20, 2020Updated 6 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆41Sep 13, 2020Updated 5 years ago
- Generate isosurface from density data☆14May 21, 2026Updated 3 weeks ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆36Jun 7, 2026Updated last week
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 6 months ago
- A simple, robust and flexible just-in-time job management framework in Python.☆184Jun 2, 2026Updated last week