geeeekDing

AdversarialNetsPapers

The classical paper list with code about generative adversarial nets

deeplearning-models

A collection of various deep learning architectures, models, and tips

HiQsimulator

A high performance distributed quantum simulator

lightspeed

Lightspeed: An ultralight C++/Python library for electronic structure theory development

P2RDM

parametric two-electron reduced density matrix method

QMMM_String_eABF_Tutorial

NAMD QM/MM Tutorial on Free Energy Profile of Reaction Mechanisms

ChineseChess-AlphaZero

Implement AlphaZero/AlphaGo Zero methods on Chinese chess.

CVX

A MATLAB system for disciplined convex programming

openqemist

The open-source portion of the QEMIST package developed at 1QBit

QC-DMET

QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry

representability

Representability is a library to work with linearly constrained mathematical programs over tensors.

ChatPaper

Use ChatGPT to summarize the arXiv papers. 全流程加速科研，利用chatgpt进行论文总结+润色+审稿+审稿回复

Entanglement-Detection-Beyond-Measuring-Fidelities

Entanglement Detection Beyond Measuring Fidelities - M. Weilenmann, B. Dive, D. Trillo, E. A. Aguilar and M. Navascués - 20th December 2019

expRNN

Optimization with orthogonal constraints and on general manifolds

gsc

gsc (Graph State Compass)

HQCA

tools for the development of quantum computing algorithms for molecular systems based on reduced density matrices

M-L-AssistedDetectingCoherence

ProjectQ

ProjectQ: An open source software framework for quantum computing

Python

All Algorithms implemented in Python

Python-100-Days

Python - 100天从新手到大师

QFold

Software to solve the folding protein problem taking into account the energy of the protein structure

qmmm-workshop

Workshop teaching QMMM using Amber

Quantum-Walks-On-NxN-Grids

Code used for "Scattering Quantum Random Walks on Square Grids and Randomly Generated Mazes" paper

rdkit_summary

rdkit总结与实践

SPVQE

VQE is a promising quantum algorithm, but it presents problems dealing with ions or excited states. For this reason it is possible to modify the algorithm with constrains. In this repo we implemented a practical working version of vqe that is able to perform well even in noisy environments.

sqm-ml

Code to create a Hybrid Semiempirical Quantum Chemical - Machine Learning (SQM-ML) scoring function for protein-ligand interactions

Tangelo

Tools developed for running end-to-end chemistry workflows on quantum computers and simulators.

v2rdm_casscf

A variational 2-RDM-driven CASSCF plugin to Psi4

VQE

A python module and example scripts to perform molecular simulationts with the variational quantum eigensolver (VQE)

VQE-CIRQ_AdaptVQE

VQE Dissertation Project