--- configs: - config_name: default data_files: - split: train path: "chanlam_train_final.csv" - split: test path: "chanlam_test_final.csv" - split: val path: "chanlam_val_final.csv" - split: train_augmented path: "chanlam_train_augmented_final.csv" license: mit task_categories: - translation language: - en tags: - chemistry pretty_name: Chan Lam Dataset from Open Reaction Database size_categories: - 10K *Reactants*>/.*Reagents* > i.e. > *Sulfonamide*.*Boronic acid*>/.*Catalyst*.*Base* I processed the original dataset to extract only the reactants, reagents and products (yields are in another dataset) ### Supported Tasks and Leaderboards Any SMILES-based Seq2Seq model can use this dataset. ### Languages SMILES strings. ## Dataset Structure ### Data Instances [More Information Needed] ### Data Fields Input: Reactants + Reagents Target: Products ### Data Splits train: Default train split val: Used in eval loop of Trainer test: Hold out set for separate evaluation train_augmented: train set but augmented with 4 extra random SMILES per row, totalling a dataset with 5x more rows ## Dataset Creation ### Curation Rationale This is a small dataset, good for testing out the effectiveness of LoRA vs full finetuning ### Source Data #### Initial Data Collection and Normalization [More Information Needed] #### Who are the source language producers? [More Information Needed] ### Annotations #### Annotation process [More Information Needed] #### Who are the annotators? [More Information Needed] ### Personal and Sensitive Information [More Information Needed] ## Considerations for Using the Data ### Social Impact of Dataset [More Information Needed] ### Discussion of Biases [More Information Needed] ### Other Known Limitations [More Information Needed] ## Additional Information ### Dataset Curators [More Information Needed] ### Licensing Information [More Information Needed] ### Citation Information [More Information Needed] ### Contributions Thanks to [@github-username](https://github.com/) for adding this dataset.