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_sources/index.rst.txt

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torch-molecule documentation
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Welcome to the Torch-Molecule documentation. Torch-Molecule is an actively developed package designed to facilitate molecular discovery through deep learning. It offers a user-friendly interface similar to `sklearn`, and includes model checkpoints for efficient deployment and benchmarking across various molecular tasks. The package currently focuses on three main components:
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Welcome to the torch-molecule documentation. torch-molecule is an actively developed package designed to facilitate molecular discovery through deep learning. It offers a user-friendly interface similar to `sklearn`, and includes model checkpoints for efficient deployment and benchmarking across various molecular tasks. The package currently focuses on three main components:
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- Predictors: Molecular property prediction models that make predictions (regression or classification) based on molecular graphs.
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- Generators: Molecular graph generators that generate new molecules.

index.html

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<article role="main" id="furo-main-content">
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<section id="torch-molecule-documentation">
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<h1>torch-molecule documentation<a class="headerlink" href="#torch-molecule-documentation" title="Link to this heading"></a></h1>
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<p>Welcome to the Torch-Molecule documentation. Torch-Molecule is an actively developed package designed to facilitate molecular discovery through deep learning. It offers a user-friendly interface similar to <cite>sklearn</cite>, and includes model checkpoints for efficient deployment and benchmarking across various molecular tasks. The package currently focuses on three main components:</p>
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<p>Welcome to the torch-molecule documentation. torch-molecule is an actively developed package designed to facilitate molecular discovery through deep learning. It offers a user-friendly interface similar to <cite>sklearn</cite>, and includes model checkpoints for efficient deployment and benchmarking across various molecular tasks. The package currently focuses on three main components:</p>
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<ul class="simple">
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<li><p>Predictors: Molecular property prediction models that make predictions (regression or classification) based on molecular graphs.</p></li>
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<li><p>Generators: Molecular graph generators that generate new molecules.</p></li>

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