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molecular representation

Papers

Showing 101110 of 168 papers

TitleStatusHype
Can Molecular Evolution Mechanism Enhance Molecular Representation?0
ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction0
Conformation-Guided Molecular Representation with Hamiltonian Neural Networks0
Deep Molecular Representation Learning via Fusing Physical and Chemical Information0
Directed Graph Attention Neural Network Utilizing 3D Coordinates for Molecular Property Prediction0
Does GNN Pretraining Help Molecular Representation?0
DrugLLM: Open Large Language Model for Few-shot Molecule Generation0
E3STO: Orbital Inspired SE(3)-Equivariant Molecular Representation for Electron Density Prediction0
An Equivariant Pretrained Transformer for Unified 3D Molecular Representation Learning0
Evaluating the roughness of structure-property relationships using pretrained molecular representations0
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