PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from inspiration to implementation.
Repository Index
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1–11 of 11 · Most stars
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
⚗ A package useful for chemistry written in Python
Molecular Processing Made Easy.
Parsers and algorithms for computational chemistry logfiles
Universal cheminformatics toolkit, utilities and database search tools
OPEM (Open Source PEM Fuel Cell Simulation Tool)
:triangular_ruler: Orthogonal polynomials in all shapes and sizes.
Molecule Validation and Standardization
UV-first benchmark for protein-ligand docking with reproducible annotation, pocket similarity, and HPC workflows.