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molecular representation

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TitleStatusHype
Knowledge-aware contrastive heterogeneous molecular graph learning—0
Knowledge-aware Contrastive Molecular Graph Learning—0
Knowledge graph-enhanced molecular contrastive learning with functional prompt—0
Learning multi-scale functional representations of proteins from single-cell microscopy data—0
Generation of 3D Molecules in Pockets via Language Model—0
Mayer-homology learning prediction of protein-ligand binding affinities—0
May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations—0
Meta-QSAR: a large-scale application of meta-learning to drug design and discovery—0
Multilingual Molecular Representation Learning via Contrastive Pre-training—0
MolCAP: Molecular Chemical reActivity pretraining and prompted-finetuning enhanced molecular representation learning—0
MolCPT: Molecule Continuous Prompt Tuning to Generalize Molecular Representation Learning—0
Molecular design method based on novel molecular representation and variational auto-encoder—0
Molecular Joint Representation Learning via Multi-modal Information—0
Molecular Property Prediction by Semantic-invariant Contrastive Learning—0
MolGraph-xLSTM: A graph-based dual-level xLSTM framework with multi-head mixture-of-experts for enhanced molecular representation and interpretability—0
MultiModal-Learning for Predicting Molecular Properties: A Framework Based on Image and Graph Structures—0
Multi-Modal Molecular Representation Learning via Structure Awareness—0
Neural networks and kernel ridge regression for excited states dynamics of CH_2NH_2^+: From single-state to multi-state representations and multi-property machine learning models—0
Persistent Dirac for molecular representation—0
PointGAT: A quantum chemical property prediction model integrating graph attention and 3D geometry—0
Pre-training Transformers for Molecular Property Prediction Using Reaction Prediction—0
Pure Component Property Estimation Framework Using Explainable Machine Learning Methods—0
Reprogramming Language Models for Molecular Representation Learning—0
SMI-Editor: Edit-based SMILES Language Model with Fragment-level Supervision—0
Representation of Molecules via Algebraic Data Types : Advancing Beyond SMILES & SELFIES—0
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