Fast, modern C++ DSP framework, FFT, Sample Rate Conversion, FIR/IIR/Biq...
DCT (discrete cosine transform) functions for pytorch
pyiron - an integrated development environment (IDE) for computational m...
Noise is an Android wrapper for kissfft, a FFT implementation written in C.
Deep neural networks for density functional theory Hamiltonian.
Electronic structure Python package for post analysis and large scale ti...
quacc is a flexible platform for computational materials science and qua...
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction b...
atomate2 is a library of computational materials science workflows
A complete open-source design-for-testing (DFT) Solution
A collection of Fast Fourier Transform algorithms implemented in C++20.
Full public release of large scale and linear scaling DFT code CONQUEST
An updated version of the VASP2WANNIER90v2 interface
Materials Learning Algorithms. A framework for machine learning material...
Fast Fourier transform in MicroPython's inline ARM assembler.