Quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
| 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++ | |||||
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| Cp2k | 722 | 3 months ago | 4 | March 14, 2022 | 105 | gpl-2.0 | Fortran | |||
| Quantum chemistry and solid state physics software package | ||||||||||
| Nwchem | 442 | 3 months ago | 1 | August 31, 2022 | 53 | other | Fortran | |||
| NWChem: Open Source High-Performance Computational Chemistry | ||||||||||
| Cclib | 293 | 1 | 3 months ago | 8 | July 26, 2022 | 177 | bsd-3-clause | Python | ||
| Parsers and algorithms for computational chemistry logfiles | ||||||||||
| Qcengine | 141 |  | 3 | 4 | 6 months ago | 40 | October 31, 2023 | 53 | bsd-3-clause | Python |
| Quantum chemistry program executor and IO standardizer (QCSchema). | ||||||||||
| Quacc | 137 | 2 days ago | 27 | December 04, 2023 | 30 | bsd-3-clause | Python | |||
| quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era. | ||||||||||
| Basis_set_exchange | 133 |  | 1 | 8 | 4 months ago | 41 | May 16, 2023 | 75 | bsd-3-clause | Python |
| A repository for quantum chemistry basis sets | ||||||||||
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