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README.md

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| IRM | [Invariant Risk Minimization](https://arxiv.org/abs/1907.02893) |
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| RPGNN | [Relational Pooling for Graph Representations. ICLR 2019](https://arxiv.org/abs/1903.02541) |
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| GNNs | [Graph Convolutional Networks. ICLR 2017](https://arxiv.org/abs/1609.02907) and [Graph Isomorphism Network. ICLR 2019](https://arxiv.org/abs/1810.00826) |
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| Transformer (SMILES) | [Attention is All You Need. NeurIPS 2017](https://arxiv.org/abs/1706.03762) based on SMILES strings |
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| Transformer (SMILES) | [Transformer (Attention is All You Need. NeurIPS 2017)](https://arxiv.org/abs/1706.03762) based on SMILES strings |
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| LSTM (SMILES) | [Long short-term memory (Neural Computation 1997)](https://ieeexplore.ieee.org/abstract/document/6795963) based on SMILES strings |
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### Generative Models

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