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#
quantum-chemistry-packages
Here are
6 public repositories
matching this topic...
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
Python library for numerical integration, interpolation, and differentiation on (molecular) grids.
QuAcK: a software for emerging quantum electronic structure methods
Electronic Structure Package with the NEO/APMO implementation
👁 QuGlassyIsing
Repository for `Glassy dynamics using Quantum Computers` Team in Qiskit Hackathon Europe
A software for ssnmr shield tensors calculations based on GIPAW method, Visualization of theoretical and experimental spectra, Conformer Generator with Genetic Algorithm and Boltzmann Probability of conformers.
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