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7 search results found
Deepchem
⭐
4,876
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Qiskit Aqua
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553
Quantum Algorithms & Applications (**DEPRECATED** since April 2021 - see readme for more info)
Quantum
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456
Psi4numpy
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306
Combining Psi4 and Numpy for education and development.
Programmingprojects
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229
C++ Programming Tutorial in Chemistry
Pyrolite
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109
A set of tools for getting the most from your geochemical data.
Dft_pib_code
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26
Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
Ibm Quantum Qce20 Tutorials
⭐
17
Repository of code notebooks for tutorials at IEEE Quantum Week (QCE20) https://qce.quantum.ieee.org/tutorials/
Openfermion Dirac
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10
Interface between Openfermion and Dirac to perform relativistic quantum chemistry calculations simulated on a quantum computer
Chem Tools Tutorials
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6
Computational chemistry software tutorials
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