Quantum Chemistry
Showing 14 of 14 projects
An open-source Python library for applying deep learning to drug discovery, materials science, quantum chemistry, and biology.
A collection of sample applications demonstrating quantum programming concepts and algorithms using Microsoft's Quantum Development Kit.
An open-source Python library for quantum computing, quantum machine learning, and quantum chemistry.
A cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry.
A cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry.
A curated list of awesome Python frameworks, libraries, software, and resources for chemistry and cheminformatics.
An open-source suite of ab initio quantum chemistry programs for high-accuracy molecular simulations, written in C++ with a Python driver.
A Python toolkit for quantum machine learning that bridges AI and quantum computing with quantum neural networks.
Q# libraries for quantum computing, including standard libraries, chemistry, and numerics modules for the Quantum Development Kit.
Q# libraries for quantum computing, including standard libraries, chemistry, and numerics modules for the Quantum Development Kit.
A high-level Python framework for formulating, optimizing, and executing variational quantum algorithms on simulators and real hardware.
A Python library for parsing computational chemistry logfiles and implementing platform-independent algorithms.
An automated workflow for generating and storing DFT calculations for organic molecules.
A massively parallel quantum chemistry platform for ab initio electronic structure simulations of molecules and solids.
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