Fast, modern C++ DSP framework, FFT, Sample Rate Conversion, FIR/IIR/Biquad Filters (SSE, AVX, AVX-512, ARM NEON)
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Updated
Oct 5, 2024 - C++
Fast, modern C++ DSP framework, FFT, Sample Rate Conversion, FIR/IIR/Biquad Filters (SSE, AVX, AVX-512, ARM NEON)
pyiron - an integrated development environment (IDE) for computational materials science.
Noise is an Android wrapper for kissfft, a FFT implementation written in C.
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ
Deep neural networks for density functional theory Hamiltonian.
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
A Python library for electronic structure pre/post-processing
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
atomate2 is a library of computational materials science workflows
A complete open-source design-for-testing (DFT) Solution
doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.
scalable molecular simulation
Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.
A collection of Fast Fourier Transform algorithms implemented in C++20.
Full public release of large scale and linear scaling DFT code CONQUEST
Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
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