Baseline training code for "Translation between Molecules and Natural Language".
Installation instructions will be uploaded soon.
| Command | Purpose |
| python main_RNN_smiles2caption.py --output_file RNN_caption2smiles.txt --mol_replace | Run the RNN baseline for molecule captioning. |
| python main_transformer_smiles2caption.py --output_file transformer_caption2smiles.txt --mol_replace | Run the Transformer baseline for molecule captioning. |
| python main_RNN_smiles2caption.py --output_file RNN_smiles2caption.txt --mol_replace | Run the RNN baseline for text-based molecule generation. |
| python main_transformer_smiles2caption.py --output_file transformer_smiles2caption.txt --mol_replace | Run the Transformer baseline for text-based molecule generation. |
If you found our work useful, please cite:
@article{edwards2022translation,
title={Translation between Molecules and Natural Language},
author={Edwards, Carl and Lai, Tuan and Ros, Kevin and Honke, Garrett and Ji, Heng},
journal={arXiv preprint arXiv:2204.11817},
year={2022}
}https://pytorch.org/tutorials/intermediate/seq2seq_translation_tutorial.html https://pytorch.org/tutorials/beginner/chatbot_tutorial.html https://pytorch.org/tutorials/beginner/translation_transformer.html