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Search results for jax quantum chemistry
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quantum-chemistry
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4 search results found
Pennylane
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2,143
PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.
Graddft
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45
Grad-DFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.
Ad Kernels
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9
Code for the paper "Algorithmic Differentiation for Automatized Modelling of Machine Learned Force Fields"
Ofdft_normalizing Flows
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6
Nomalizing flows for orbita-free DFT
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