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Search results for vasp lammps

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9 search results found
Pyiron ⭐ 316
pyiron - an integrated development environment (IDE) for computational materials science.
Jarvis ⭐ 260
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94A
Atomsk ⭐ 165
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Dynaphopy ⭐ 78
Phonon anharmonicity analysis from molecular dynamics
Ai2 Kit ⭐ 36
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
Pyiron_atomistics ⭐ 31
pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
Aces ⭐ 14
A wrapper for many computational codes of thermal conductivity
Dftfit ⭐ 11
Interatomic potential creating using DFT training data.
Gemdat ⭐ 9
Python toolkit for molecular dynamics analysis
Related Searches
Python Lammps (55)
Molecular Dynamics Lammps (46)
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1-9 of 9 search results
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