conftrace_

reaction graph

2 papers

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Co-occurring keywords · papers mentioning both

molecule representation (1) retrosynthetic planning (1) 3d structure (1) graph neural network (1) molecular structure (1) molecule representation fusion (1) molecular representation (1) chemical reaction (1) generative model (1) knowledge graph (1)

Papers

Reaction Graph: Towards Reaction-Level Modeling for Chemical Reactions with 3D Structures ICML 2025 FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning ICML 2023