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Search results for quantum chemistry
quantum-chemistry
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213 search results found
Occ
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5
Open Computational Chemistry in C++
Qe Docset
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5
Dash docset generator for Quantum ESPRESSO.
Qibochem
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5
Qibochem is a plugin to Qibo for quantum chemistry simulations.
Pysirc
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5
Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
Puffin
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5
Cvqe
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5
Quantum snake algorithm: Collective variational quantum eigensolvers for quantum chemistry
Rho2_ops
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5
Given the 2-RDM matrix in primitives and the gaussian primitives basis, RHO2_OPS can compute Intracule, Extracule, and Total Position Spread.
Look4bas
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5
Interactively search for Gaussian basis sets
Quantum Chem
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5
Reproducing published papers in quantum chemistry using quantum computation.
Molsturm
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5
A modular electronic structure theory code
Wailord
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5
An ORCA helper in python
Openlowdin
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5
Electronic Structure Package with the NEO/APMO implementation
V
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5
A simple X11 molecular viewer
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Python Quantum Chemistry (130)
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