DCT (discrete cosine transform) functions for pytorch
Vulkan/CUDA/HIP/OpenCL/Level Zero/Metal Fast Fourier Transform library
atomate2 is a library of computational materials science workflows
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
"SOLQ: Segmenting Objects by Learning Queries", SOLQ is an end-to-end instance segmentation framework with Transformer.
A collection of Nerual Network Models for chemistry
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.
unofficial implementation of DCT-Net: Domain-Calibrated Translation for Portrait
Evaluation of universal machine learning force-fields https://arxiv.org/abs/2412.10516
