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pytorch_scatter

PyTorch Extension Library of Optimized Scatter Operations

pytorch_sparse

PyTorch Extension Library of Optimized Autograd Sparse Matrix Operations

pytorch_stn

pytorch version of spatial transformer networks

pytorch_tutorials

PyTorch tutorials.

pytorch_wavelets

Pytorch implementation of 2D Discrete Wavelet (DWT) and Dual Tree Complex Wavelet Transforms (DTCWT) and a DTCWT based ScatterNet

pytudes

Python programs, usually short, of considerable difficulty, to perfect particular skills.

pyvenn

2 ~ 6 sets venn diagram for python

pyvibms

A PyMOL plugin for visualizing vibrations in molecules and solids

pywarm

A cleaner way to build neural networks for PyTorch.

pywick

High-level batteries-included neural network training library for Pytorch

pywin32

Python for Windows (pywin32) Extensions

pyxtal

A code to generate atomic structure with symmetry

pyzx

Python library for quantum circuit rewriting and optimisation using the ZX-calculus

q-e

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

q-e_schrodinger

Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite

qagnn

QA-GNN: Question Answering using Language Models and Knowledge Graphs

qball

Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.

qc

quick c

qc-dgm

Official code for the paper: Deep Graph Matching under Quadratic Constraint (CVPR 2021)

qchem

An exploration of the state of the art in the application of datascience to quantum chemistry.

qdataset

QDataSet: Quantum Datasets for Machine Learning

qdeep

Distance-based protein model quality estimation using deep ResNets

qforce

qft

Lecture notes for PHYS 611 Quantum Field Theory I

qgraph

qhoptim

Implementations of quasi-hyperbolic optimization algorithms.

qiqqa-open-source

The open-sourced version of the award-winning Qiqqa research management tool for Windows

qiskit

Qiskit is an open-source SDK for working with quantum computers at the level of circuits, algorithms, and application modules.

qiskit-metal

Quantum Hardware Design. Unpolished, early-access alpha version for a first-of-its-kind, open-source project for engineers and scientists to design superconducting quantum devices with ease.

qlstm

Example of a Quantum LSTM