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README.rst

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What
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====
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`qmllib` is a Python/Fortran toolkit for representation of molecules and solids
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``qmllib`` is a Python/Fortran toolkit for representation of molecules and solids
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for machine learning of properties of molecules and solids. The library is not
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a high-level framework where you can do `model.train()`, but supplies the
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a high-level framework where you can do ``model.train()``, but supplies the
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building blocks to carry out efficient and accurate machine learning. As such,
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the goal is to provide usable and efficient implementations of concepts such as
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representations and kernels.
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QML or QMLLib?
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====
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`qmllib` represents the core library functionality derived from the original
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``qmllib`` represents the core library functionality derived from the original
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QML package, providing a powerful toolkit for quantum machine learning
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applications, but without the high-level abstraction, for example SKLearn.
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