chemical reaction

ReactGPT: Understanding of Chemical Reactions via In-Context Tuning AAAI 2025 Reaction Graph: Towards Reaction-Level Modeling for Chemical Reactions with 3D Structures ICML 2025 RetroInText: A Multimodal Large Language Model Enhanced Framework for Retrosynthetic Planning via In-Context Representation Learning ICLR 2025 SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints ICLR 2025 Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search NeurIPS 2024 ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining ACL 2024 RGFN: Synthesizable Molecular Generation Using GFlowNets NeurIPS 2024 Uncertainty-Aware Yield Prediction with Multimodal Molecular Features AAAI 2024 Conditional Graph Information Bottleneck for Molecular Relational Learning ICML 2023 Predictive Chemistry Augmented with Text Retrieval EMNLP 2023 Chemical-Reaction-Aware Molecule Representation Learning ICLR 2022 Barking up the right tree: an approach to search over molecule synthesis DAGs NeurIPS 2020 A Generative Model For Electron Paths ICLR 2019 Retrosynthesis Prediction with Conditional Graph Logic Network NeurIPS 2019 A Machine Learning Approach to Predict Chemical Reactions NeurIPS 2011