PyPI
deepmodeling/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
LGPL-3.020 jul 2026 · métricas 2.10.0
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#dft
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7 registros
PyPI
materialsproject/pymatgen-core
Pymatgen Core
Licencia propia16 jul 2026 · métricas 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-Clause13 ago 2026 · métricas 2.10.0
PyPI
zerothi/sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
MPL-2.016 ago 2026 · métricas 2.10.0
PyPI · crates.io · npm
awxkee/zaft
Fast fourier transform in Rust
BSD-3-Clause22 ago 2026 · métricas 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-2.027 jul 2026 · métricas 2.10.0
PyPI
alextyner-tailwater/Tailwater
Tailwater frontend software package, providing access to GWANN API and functionality for electronic materials discovery
Licencia propia16 jul 2026 · métricas 2.10.0