Quantumpdb
Workflow for generate a database of proteins with quantum properties
| Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
|---|---|---|---|---|---|---|---|---|---|---|
| Pennylane | 2,117 |  | 10 | 54 | 13 days ago | 46 | November 08, 2023 | 263 | apache-2.0 | Python |
| PennyLane is a cross-platform Python library for differentiable programming of quantum computers. Train a quantum computer the same way as a neural network. | ||||||||||
| Schnetpack | 688 |  | 1 | 3 | 4 months ago | 10 | September 29, 2023 | 3 | other | Python |
| SchNetPack - Deep Neural Networks for Atomistic Systems | ||||||||||
| Computationalphysics2 | 143 | 4 months ago | 5 | cc0-1.0 | ||||||
| Advanced course in Computational Physics, see texbook at http://compphysics.github.io/ComputationalPhysics2/doc/LectureNotes/_build/html/ with an emphasis on computational quantum mechanics, machine learning and quantum computing. | ||||||||||
| Sgdml | 124 | 8 months ago | 10 | mit | Python | |||||
| sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model | ||||||||||
| Nabladft | 117 | 4 months ago | 3 | mit | Python | |||||
| nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset | ||||||||||
| Delfta | 82 | a year ago | 1 | agpl-3.0 | Python | |||||
| Δ-QML for medicinal chemistry | ||||||||||
| Alchemy | 69 | 5 years ago | 1 | mit | Python | |||||
| Awesome Structural Bioinformatics | 54 | a year ago | Python | |||||||
| Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this. | ||||||||||
| Dtnn | 52 | 7 years ago | mit | Python | ||||||
| Deep Tensor Neural Network | ||||||||||
| Kallisto | 50 |  | 2 | 8 months ago | 9 | September 14, 2023 | 2 | apache-2.0 | Python | |
| Efficiently calculate 3D-features for quantitative structure-activity relationship approaches. | ||||||||||
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