Pyquante2
Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
| Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
|---|---|---|---|---|---|---|---|---|---|---|
| Deepchem | 4,876 |  | 4 | 8 | 3 months ago | 756 | December 08, 2023 | 559 | mit | Python |
| Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology | ||||||||||
| Pyscf | 1,061 | 3 months ago | 260 | apache-2.0 | Python | |||||
| Python module for quantum chemistry | ||||||||||
| Awesome Python Chemistry | 971 | 4 months ago | 2 | other | ||||||
| A curated list of Python packages related to chemistry | ||||||||||
| Psi4 | 875 | 3 months ago | 378 | lgpl-3.0 | C++ | |||||
| Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python | ||||||||||
| Cp2k | 722 | 3 months ago | 4 | March 14, 2022 | 105 | gpl-2.0 | Fortran | |||
| Quantum chemistry and solid state physics software package | ||||||||||
| Qiskit Aqua | 553 |  | 6 | 6 | 2 years ago | 33 | September 08, 2021 | 10 | apache-2.0 | Python |
| Quantum Algorithms & Applications (**DEPRECATED** since April 2021 - see readme for more info) | ||||||||||
| Quantum | 456 | a year ago | 13 | May 19, 2022 | 21 | other | Jupyter Notebook | |||
| Rmg Py | 356 | 3 months ago | 50 | other | Python | |||||
| Python version of the amazing Reaction Mechanism Generator (RMG). | ||||||||||
| Psi4numpy | 306 | 4 months ago | 16 | bsd-3-clause | Jupyter Notebook | |||||
| Combining Psi4 and Numpy for education and development. | ||||||||||
| Recirq | 250 | 4 months ago | 34 | apache-2.0 | Python | |||||
| Research using Cirq! | ||||||||||
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