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Graph Neural Networks Alternatives

Graph Neural Networks for Quantum Chemistry
Stars
33
License
No license specified
Open Issues
2
Most Recent Commit
6 years ago
Programming Language
Python
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Alternatives To Graph Neural Networks
Project NameStarsDownloadsRepos Using ThisPackages Using ThisMost Recent CommitTotal ReleasesLatest ReleaseOpen IssuesLicenseLanguage
Deepchem4,876pypi deepchem} Downloads488 months ago756December 08, 2023559mitPython
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Pyscf1,061
8 months ago260apache-2.0Python
Python module for quantum chemistry
Awesome Python Chemistry971
8 months ago2other
A curated list of Python packages related to chemistry
Psi4875
8 months ago378lgpl-3.0C++
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Cp2k722
8 months ago4March 14, 2022105gpl-2.0Fortran
Quantum chemistry and solid state physics software package
Qiskit Aqua553pypi qiskit-aqua} Downloads663 years ago33September 08, 202110apache-2.0Python
Quantum Algorithms & Applications (**DEPRECATED** since April 2021 - see readme for more info)
Quantum456
a year ago13May 19, 202221otherJupyter Notebook
Rmg Py356
8 months ago50otherPython
Python version of the amazing Reaction Mechanism Generator (RMG).
Psi4numpy306
8 months ago16bsd-3-clauseJupyter Notebook
Combining Psi4 and Numpy for education and development.
Recirq250
9 months ago34apache-2.0Python
Research using Cirq!
Alternatives To Graph Neural Networks
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Quantum ⭐ 456
total releases 13most recent commit a year ago
Recirq ⭐ 250
Research using Cirq!
most recent commit 9 months ago


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