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chemical reaction prediction

8 papers

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Co-occurring keywords · papers mentioning both

large language model (2) graph neural network (2) reaction prediction (2) self-supervised learning (2) visual token reduction (1) state of the art (1) trajectory imitation (1) template free (1) graph edit (1) atom-level feature (1)

Papers

TinyChemVL: Advancing Chemical Vision-Language Models via Efficient Visual Token Reduction and Complex Reaction Tasks AAAI 2026 Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning IJCAI 2025 Equivariant Denoisers Cannot Copy Graphs: Align Your Graph Diffusion Models ICLR 2025 RetroBridge: Modeling Retrosynthesis with Markov Bridges ICLR 2024 ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction EMNLP 2023 Self-Improved Retrosynthetic Planning ICML 2021 Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network NeurIPS 2017 A Machine Learning Approach to Predict Chemical Reactions NeurIPS 2011