| license: cc-by-sa-3.0 | |
| # **Ocelot+ Dataset** | |
| ## **Overview** | |
| The **Ocelot+ dataset** contains **33 million molecules**, synthetically generated through **combinatorial expansion** of the **largest connected fused ring scaffolds** from the **OCELOT** dataset. This dataset extends OCELOT by providing a larger molecular space for **molecular generation, property prediction, and deep learning applications**. | |
| ## **Paper Reference** | |
| This dataset is used and described in detail in our paper: | |
| [**MolGen-Transformer: A Molecule Language Model for the Generation and Latent Space Exploration of π-Conjugated Molecules**](https://chemrxiv.org/engage/chemrxiv/article-details/67bce95d81d2151a02e708ba) available on **ChemRxiv**. | |
| ## **Source and More Information** | |
| - **OCELOT Dataset**: [OCELOT: An Infrastructure for Data-Driven Research to Discover and Design Crystalline Organic Semiconductors](https://pubmed.ncbi.nlm.nih.gov/34241085/) | |
| - **License**: MIT License | |