conftrace_

property prediction

48 papers

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graph neural network (12) molecular representation (10) molecular representation learning (8) drug discovery (7) generative model (6) self-supervised learning (6) representation learning (6) molecule generation (5) molecular property prediction (5) crystal structure (5)

Papers

GenMatLab: A Generative Platform for Inverse Materials Design AAAI 2026 Hierarchical Structure-Property Alignment for Data-Efficient Molecular Generation and Editing AAAI 2026 3D Denoisers Are Good 2D Teachers: Molecular Pretraining via Denoising and Cross-Modal Distillation AAAI 2025 A Denoising Pre-training Framework for Accelerating Novel Material Discovery AAAI 2025 Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations AAAI 2025 GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks ICLR 2025 Learning Molecular Representation in a Cell ICLR 2025 LICO: Large Language Models for In-Context Molecular Optimization ICLR 2025 MOL-Mamba: Enhancing Molecular Representation with Structural & Electronic Insights AAAI 2025 polyBART: A Chemical Linguist for Polymer Property Prediction and Generative Design EMNLP 2025 UniGEM: A Unified Approach to Generation and Property Prediction for Molecules ICLR 2025 UniMate: A Unified Model for Mechanical Metamaterial Generation, Property Prediction, and Condition Confirmation ICML 2025 3D-FuM: Benchmarking 3D Molecule Learning with Functional Groups IJCAI 2024 A Diffusion-Based Pre-training Framework for Crystal Property Prediction AAAI 2024 Adjusting Interpretable Dimensions in Embedding Space with Human Judgments NAACL 2024 A probability contrastive learning framework for 3D molecular representation learning NeurIPS 2024 Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding ICLR 2024 Graph Neural Networks Need Cluster-Normalize-Activate Modules NeurIPS 2024 HAGO-Net: Hierarchical Geometric Message Passing for Molecular Representation Learning AAAI 2024 Hybrid Generative AI for De Novo Design of Co-Crystals with Enhanced Tabletability NeurIPS 2024 MANDREL: Modular Reinforcement Learning Pipelines for Material Discovery AAAI 2024 Molecule Design by Latent Prompt Transformer NeurIPS 2024 MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts AAAI 2024 NLPeople at L+M-24 Shared Task: An Ensembled Approach for Molecule Captioning from SMILES ACL 2024 Scalable Diffusion for Materials Generation ICLR 2024