PyPI
deepmodeling/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
LGPL-3.012. Sept. 2026 · Metriken 2.10.0
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Alle Repositories im öffentlichen Register, die dieses Tag tragen — aus ihren GitHub-Topics oder den von ihren Paket-Registries veröffentlichten Schlagwörtern. Die Gesundheit wird nach derselben versionierten Methodik gemessen wie im übrigen Register.
8 Einträge
PyPI
materialsproject/atomate2
atomate2 is a library of computational materials science workflows
Eigene Lizenz21. Okt. 2026 · Metriken 2.10.0
PyPI
materialsproject/pymatgen-core
Pymatgen Core
Eigene Lizenz9. Sept. 2026 · Metriken 2.10.0
PyPI
Quantum-Accelerators/quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
BSD-3-Clause18. Sept. 2026 · Metriken 2.10.0
PyPI
zerothi/sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
MPL-2.018. Sept. 2026 · Metriken 2.10.0
PyPI · crates.io · npm
awxkee/zaft
Fast fourier transform in Rust
BSD-3-Clause20. Okt. 2026 · Metriken 2.10.0
crates.io
cool-japan/oxifft
OxiFFT is a 99% Rust port of FFTW3, the world's most respected FFT library. It brings FFTW's sophisticated algorithms, planning system, and performance optimizations to the Rust ecosystem while leveraging Rust's safety guarantees and modern language features.
Apache-2.014. Sept. 2026 · Metriken 2.10.0
PyPI
alextyner-tailwater/Tailwater
Tailwater frontend software package, providing access to GWANN API and functionality for electronic materials discovery
Eigene Lizenz8. Sept. 2026 · Metriken 2.10.0