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README.md

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`torch-molecule` is a package under active development that facilitates molecular discovery through deep learning, featuring a user-friendly, `sklearn`-style interface. It includes model checkpoints for efficient deployment and benchmarking across a range of molecular tasks. Currently, the package focuses on three main components:
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Here are the three Markdown tables, each showing only the models you have already supported for each category:
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Below are three Markdown tables that list only the supported models. Each table includes a column for the model name and a column for its reference. Since specific references were not provided, a placeholder "[Reference unknown]" is used.
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1. **Predictive Models**: Done: GREA, SGIR, IRM, GIN/GCN w/ virtual, DIR. TODO: SMILES-based LSTM/Transformers, more
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2. **Generative Models**: Done: Graph DiT, GraphGA, DiGress. TODO:, GDSS, more
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3. **Representation Models**: Done: MoAMa, AttrMasking, ContextPred, EdgePred. Many pretrained models from HF. TODO: checkpoints, more

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