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9 search results found

Pennylane ⭐ 2,117

PennyLane is a cross-platform Python library for differentiable programming of quantum computers. Train a quantum computer the same way as a neural network.

Introductions to key concepts in quantum programming, as well as tutorials and implementations from cutting-edge quantum computing research.

Torchani ⭐ 411

Accurate Neural Network Potential on PyTorch

Δ-QML for medicinal chemistry

Atoms In Molecules Neural Network Potential

Naqs For Quantum Chemistry ⭐ 12

Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".

An exploration of the state of the art in the application of data science to quantum chemistry.

Tad Dftd3 ⭐ 6

PyTorch Autodiff DFT-D3 Implementation.

Tad Dftd4 ⭐ 6

PyTorch Autodiff DFT-D4 Implementation.

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