1.[**RetCL: A Selection-based Approach for Retrosynthesis via Contrastive Learning**](https://arxiv.org/abs/2105.00795), IJCAI 2021, *Hankook Lee, Sungsoo Ahn, Seung-Woo Seo, You Young Song, Eunho Yang, Sung-Ju Hwang, Jinwoo Shin*
1.[**Accurate Prediction of Free Solvation Energy of Organic Molecules via Graph Attention Network and Message Passing Neural Network from Pairwise Atomistic Interactions**](https://arxiv.org/abs/2105.02048), *Ramin Ansari, Amirata Ghorbani*
1.[**DIPS-Plus: The Enhanced Database of Interacting Protein Structures for Interface Prediction**](https://arxiv.org/abs/2106.04362), *Alex Morehead, Chen Chen, Ada Sedova, Jianlin Cheng*