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The Top 23 Vasp Open Source Projects

Open source projects categorized as Vasp
Categories > Vasp
Pyiron ⭐ 316
pyiron - an integrated development environment (IDE) for computational materials science.
total releases 685most recent commit 4 months ago
Jarvis ⭐ 260
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94A
dependent packages 13total releases 100most recent commit 5 months agopypi jarvis-tools} Downloads
Vaspy ⭐ 220
Manipulating VASP files with Python.
total releases 21most recent commit 2 years ago
Atomsk ⭐ 165
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
total releases 4most recent commit 5 months ago
Pyprocar ⭐ 160
A Python library for electronic structure pre/post-processing
dependent packages 1total releases 74most recent commit 5 months agopypi PyProcar} Downloads
Sisl ⭐ 159
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
dependent packages 4total releases 44most recent commit 4 months agopypi sisl} Downloads
Atomate2 ⭐ 112
atomate2 is a library of computational materials science workflows
dependent packages 2total releases 12most recent commit 4 months agopypi atomate2} Downloads
Dynaphopy ⭐ 78
Phonon anharmonicity analysis from molecular dynamics
dependent packages 2total releases 37most recent commit a year agopypi dynaphopy} Downloads
Vasp2wan90_v2_fix ⭐ 76
An updated version of the VASP2WANNIER90v2 interface
most recent commit 9 months ago
Macrodensity ⭐ 75
Python package to analyse electron density & electrostatic potential grids
most recent commit 5 months ago
Ifermi ⭐ 71
Fermi surface generation, analysis and visualisation.
dependent packages 1total releases 17most recent commit 5 months agopypi ifermi} Downloads
Bandup ⭐ 68
BandUP: Band Unfolding code for Plane-wave based calculations
most recent commit 3 years ago
Doped ⭐ 65
doped is a python package for setting up, parsing and analysing ab-initio defect calculations.
dependent packages 1total releases 26most recent commit 5 months agopypi doped} Downloads
Shakenbreak ⭐ 63
Defect structure-searching employing chemically-guided bond distortions
dependent packages 2total releases 36most recent commit 5 months agopypi shakenbreak} Downloads
P4vasp ⭐ 46
p4vasp, the VASP Visualization Tool
most recent commit 5 years ago
Vaspstudio ⭐ 44
An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取，任务文件管理的工具
most recent commit 4 years ago
Aiida Vasp ⭐ 42
A plugin to AiiDA for running simulations with VASP
dependent packages 3total releases 13most recent commit 5 months agopypi aiida-vasp} Downloads
Vaspberry ⭐ 39
Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
most recent commit a year ago
Ai2 Kit ⭐ 36
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
most recent commit 4 months ago
Disorder ⭐ 36
A code for generating irreducible site-occupancy configurations
most recent commit 6 months ago
High Entropy Alloys ⭐ 35
Generate random alloys and compute various properties
most recent commit 5 months ago
Mcu ⭐ 32
Modeling and Crystallographic Utilities
total releases 2most recent commit a year ago
Pyiron_atomistics ⭐ 31
pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
dependent packages 8total releases 153most recent commit 4 months agopypi pyiron-atomistics} Downloads
The 10 Most Depended On Vasp Open Source Projects
Pyiron_atomistics ⭐ 31
pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
dependent packages 8total releases 153latest release November 23, 2023most recent commit 4 months agopypi pyiron-atomistics} Downloads
Sisl ⭐ 159
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
dependent packages 4total releases 44latest release November 07, 2023most recent commit 4 months agopypi sisl} Downloads
Aiida Vasp ⭐ 42
A plugin to AiiDA for running simulations with VASP
dependent packages 3total releases 13latest release July 03, 2023most recent commit 5 months agopypi aiida-vasp} Downloads
Dynaphopy ⭐ 78
Phonon anharmonicity analysis from molecular dynamics
dependent packages 2total releases 37latest release December 22, 2022most recent commit a year agopypi dynaphopy} Downloads
Atomate2 ⭐ 112
atomate2 is a library of computational materials science workflows
dependent packages 2total releases 12latest release October 30, 2023most recent commit 4 months agopypi atomate2} Downloads
Shakenbreak ⭐ 63
Defect structure-searching employing chemically-guided bond distortions
dependent packages 2total releases 36latest release October 12, 2023most recent commit 5 months agopypi shakenbreak} Downloads
Pyprocar ⭐ 160
A Python library for electronic structure pre/post-processing
dependent packages 1total releases 74latest release October 26, 2023most recent commit 5 months agopypi PyProcar} Downloads
Doped ⭐ 65
doped is a python package for setting up, parsing and analysing ab-initio defect calculations.
dependent packages 1total releases 26latest release November 21, 2023most recent commit 5 months agopypi doped} Downloads
Pydefect ⭐ 31
Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
dependent packages 1total releases 34latest release September 20, 2023most recent commit 6 months agopypi pydefect} Downloads
The 10 Latest Releases In Vasp Open Source Projects
Pyiron_atomistics ⭐ 31
pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
dependent packages 8total releases 153latest release November 23, 2023most recent commit 4 months agopypi pyiron-atomistics} Downloads
Doped ⭐ 65
doped is a python package for setting up, parsing and analysing ab-initio defect calculations.
dependent packages 1total releases 26latest release November 21, 2023most recent commit 5 months agopypi doped} Downloads
Pyiron ⭐ 316
pyiron - an integrated development environment (IDE) for computational materials science.
total releases 685latest release November 18, 2023most recent commit 4 months ago
Easyunfold ⭐ 26
Band structure unfolding made easy!
dependent packages 1total releases 6latest release November 17, 2023most recent commit 5 months agopypi easyunfold} Downloads
Gemdat ⭐ 9
Python toolkit for molecular dynamics analysis
total releases 6latest release November 17, 2023most recent commit 4 months ago
Sisl ⭐ 159
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
dependent packages 4total releases 44latest release November 07, 2023most recent commit 4 months agopypi sisl} Downloads
Mkits ⭐ 5
my initial post processing tools for DFT calculations
total releases 15latest release November 06, 2023most recent commit 8 months ago
Atomate2 ⭐ 112
atomate2 is a library of computational materials science workflows
dependent packages 2total releases 12latest release October 30, 2023most recent commit 4 months agopypi atomate2} Downloads
Pyprocar ⭐ 160
A Python library for electronic structure pre/post-processing
dependent packages 1total releases 74latest release October 26, 2023most recent commit 5 months agopypi PyProcar} Downloads
Ifermi ⭐ 71
Fermi surface generation, analysis and visualisation.
dependent packages 1total releases 17latest release October 20, 2023most recent commit 5 months agopypi ifermi} Downloads
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