| Optimizing Drug Design by Merging Generative AI With Active Learning Frameworks | May 4, 2023 | Active LearningDrug Design | —Unverified | 0 |
| Knowledge graph-enhanced molecular contrastive learning with functional prompt | May 4, 2023 | Contrastive LearningDrug Design | —Unverified | 0 |
| An Equivariant Generative Framework for Molecular Graph-Structure Co-Design | Apr 12, 2023 | 3D geometryDrug Design | CodeCode Available | 0 |
| Evaluation of GPT and BERT-based models on identifying protein-protein interactions in biomedical text | Mar 30, 2023 | Drug DesignLiterature Mining | —Unverified | 0 |
| Utilizing Reinforcement Learning for de novo Drug Design | Mar 30, 2023 | DiversityDrug Design | CodeCode Available | 0 |
| Molecular Property Prediction by Semantic-invariant Contrastive Learning | Mar 13, 2023 | Contrastive LearningDrug Design | —Unverified | 0 |
| DP-Fast MH: Private, Fast, and Accurate Metropolis-Hastings for Large-Scale Bayesian Inference | Mar 10, 2023 | Bayesian InferenceDrug Design | CodeCode Available | 0 |
| Infinite Physical Monkey: Do Deep Learning Methods Really Perform Better in Conformation Generation? | Mar 8, 2023 | Drug DesignDrug Discovery | —Unverified | 0 |
| Accurate Free Energy Estimations of Molecular Systems Via Flow-based Targeted Free Energy Perturbation | Feb 23, 2023 | Drug Design | —Unverified | 0 |
| Machine learning for the prediction of safe and biologically active organophosphorus molecules | Feb 21, 2023 | Drug DesignDrug Discovery | —Unverified | 0 |
