Browse State-of-the-Art › Property Prediction › Papers, page 5

Property Prediction

Papers archive 2025-07-28

archive papers tagged: 691 · with a code link: 352 · where Syntology ran a sample: 116 (96 with a run with no instrument failure, 20 where every run was a failure of Syntology's instrument) Syntology

Show: all tagged papersonly where code ran (116 of 691 tagged: 96 with a run with no instrument failure, 20 where every run was a failure of Syntology's instrument)

Page 5 of 7: papers 401 to 500 of 691, in archive order: by repositories listed in the archive (most first), then newest first, not by stars (the archive holds no stars, so PwC's “Social” and “Latest” sorts cannot be reproduced). Papers that list no repository come after every paper that lists one.

Papers without a page here are shown as plain text. A Syntology line reads “N ran (of which C constructed an object rather than computing a result; K with no instrument failure: H honoured, V violated, P with no contract checked; I where Syntology's instrument failed) · U unverified”; the figure “where Syntology's instrument failed” counts failures of Syntology's instrument, not of the code. When the archive marks a repository official for the paper, the line starts with that repository's state (the archive's flag, not a verdict on who wrote the code); hover it for the repositories the samples that ran came from. Abstracts are on each paper's page.

• LLM-Fusion: A Novel Multimodal Fusion Model for Accelerated Material Discovery
  2 Mar 2025 0 repositories listed
• QCS-ADME: Quantum Circuit Search for Drug Property Prediction with Imbalanced Data and Regression Adaptation
  2 Mar 2025 0 repositories listed
• ChatMol: A Versatile Molecule Designer Based on the Numerically Enhanced Large Language Model
  27 Feb 2025 0 repositories listed
• Auto-ADMET: An Effective and Interpretable AutoML Method for Chemical ADMET Property Prediction
  22 Feb 2025 0 repositories listed
• MoMa: A Modular Deep Learning Framework for Material Property Prediction
  21 Feb 2025 0 repositories listed
• Position: Graph Learning Will Lose Relevance Due To Poor Benchmarks
  20 Feb 2025 0 repositories listed
• MatterChat: A Multi-Modal LLM for Material Science
  18 Feb 2025 0 repositories listed
• Knowledge-aware contrastive heterogeneous molecular graph learning
  17 Feb 2025 0 repositories listed
• Learning Smooth and Expressive Interatomic Potentials for Physical Property Prediction
  17 Feb 2025 0 repositories listed
• Locally-Deployed Chain-of-Thought (CoT) Reasoning Model in Chemical Engineering: Starting from 30 Experimental Data
  17 Feb 2025 0 repositories listed
• Global Universal Scaling and Ultra-Small Parameterization in Machine Learning Interatomic Potentials with Super-Linearity
  11 Feb 2025 0 repositories listed
• CAST: Cross Attention based multimodal fusion of Structure and Text for materials property prediction
  6 Feb 2025 0 repositories listed
• Mol-LLM: Multimodal Generalist Molecular LLM with Improved Graph Utilization
  5 Feb 2025 0 repositories listed
• ReGNet: Reciprocal Space-Aware Long-Range Modeling for Crystalline Property Prediction
  4 Feb 2025 0 repositories listed
• FragmentNet: Adaptive Graph Fragmentation for Graph-to-Sequence Molecular Representation Learning
  3 Feb 2025 0 repositories listed
• Learning Metal Microstructural Heterogeneity through Spatial Mapping of Diffraction Latent Space Features
  30 Jan 2025 0 repositories listed
• MolGraph-xLSTM: A graph-based dual-level xLSTM framework with multi-head mixture-of-experts for enhanced molecular representation and interpretability
  30 Jan 2025 0 repositories listed
• Tensor Completion for Surrogate Modeling of Material Property Prediction
  30 Jan 2025 0 repositories listed
• Can Molecular Evolution Mechanism Enhance Molecular Representation?
  27 Jan 2025 0 repositories listed
• Evaluating multiple models using labeled and unlabeled data
  21 Jan 2025 0 repositories listed
• Dual-Modality Representation Learning for Molecular Property Prediction
  11 Jan 2025 0 repositories listed
• Graph Generative Pre-trained Transformer
  2 Jan 2025 0 repositories listed
• Multi-modal Contrastive Learning with Negative Sampling Calibration for Phenotypic Drug Discovery
  1 Jan 2025 0 repositories listed
• Revisiting Graph Neural Networks on Graph-level Tasks: Comprehensive Experiments, Analysis, and Improvements
  1 Jan 2025 0 repositories listed
• FastCHGNet: Training one Universal Interatomic Potential to 1.5 Hours with 32 GPUs
  30 Dec 2024 0 repositories listed
• Category-Specific Topological Learning of Metal-Organic Frameworks
  16 Dec 2024 0 repositories listed
• EvoLlama: Enhancing LLMs' Understanding of Proteins via Multimodal Structure and Sequence Representations
  16 Dec 2024 0 repositories listed
• Language model driven: a PROTAC generation pipeline with dual constraints of structure and property
  12 Dec 2024 0 repositories listed
• Tokenizing 3D Molecule Structure with Quantized Spherical Coordinates
  2 Dec 2024 0 repositories listed
• Assessing data-driven predictions of band gap and electrical conductivity for transparent conducting materials
  21 Nov 2024 0 repositories listed
• Investigating Graph Neural Networks and Classical Feature-Extraction Techniques in Activity-Cliff and Molecular Property Prediction
  20 Nov 2024 0 repositories listed
• SeqProFT: Applying LoRA Finetuning for Sequence-only Protein Property Predictions
  18 Nov 2024 0 repositories listed
• Material Property Prediction with Element Attribute Knowledge Graphs and Multimodal Representation Learning
  13 Nov 2024 0 repositories listed
• Two-Stage Pretraining for Molecular Property Prediction in the Wild
  5 Nov 2024 0 repositories listed
• Contextual Representation Anchor Network to Alleviate Selection Bias in Few-Shot Drug Discovery
  28 Oct 2024 0 repositories listed
• PepDoRA: A Unified Peptide Language Model via Weight-Decomposed Low-Rank Adaptation
  28 Oct 2024 0 repositories listed
• Text-Guided Multi-Property Molecular Optimization with a Diffusion Language Model
  17 Oct 2024 0 repositories listed
• HELM: Hierarchical Encoding for mRNA Language Modeling
  16 Oct 2024 0 repositories listed
• Beyond Sequence: Impact of Geometric Context for RNA Property Prediction
  15 Oct 2024 0 repositories listed
• KA-GNN: Kolmogorov-Arnold Graph Neural Networks for Molecular Property Prediction
  15 Oct 2024 0 repositories listed
• UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
  14 Oct 2024 0 repositories listed
• WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction
  13 Oct 2024 0 repositories listed Syntology 3 ran (of which 0 constructed an object rather than computing a result; 3 with no instrument failure: 0 honoured, 1 violated, 2 with no contract checked; 0 where Syntology's instrument failed) · 0 unverified (of 3 harvested samples) · 3 pointer-only (licence)
• TapWeight: Reweighting Pretraining Objectives for Task-Adaptive Pretraining
  13 Oct 2024 0 repositories listed
• Molecular topological deep learning for polymer property prediction
  7 Oct 2024 0 repositories listed
• Scalable Multi-Task Transfer Learning for Molecular Property Prediction
  1 Oct 2024 0 repositories listed
• Task Addition in Multi-Task Learning by Geometrical Alignment
  25 Sep 2024 0 repositories listed
• Quantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical Industries
  24 Sep 2024 0 repositories listed
• Dumpling GNN: Hybrid GNN Enables Better ADC Payload Activity Prediction Based on Chemical Structure
  23 Sep 2024 0 repositories listed
• Evaluating the Performance and Robustness of LLMs in Materials Science Q&A and Property Predictions
  22 Sep 2024 0 repositories listed
• Smirk: An Atomically Complete Tokenizer for Molecular Foundation Models
  19 Sep 2024 0 repositories listed
• Regression with Large Language Models for Materials and Molecular Property Prediction
  9 Sep 2024 0 repositories listed
• CrysAtom: Distributed Representation of Atoms for Crystal Property Prediction
  7 Sep 2024 0 repositories listed
• Efficient Training of Transformers for Molecule Property Prediction on Small-scale Datasets
  7 Sep 2024 0 repositories listed
• Self-supervised learning for crystal property prediction via denoising
  30 Aug 2024 0 repositories listed
• Cross-Modal Learning for Chemistry Property Prediction: Large Language Models Meet Graph Machine Learning
  27 Aug 2024 0 repositories listed
• PDDFormer: Pairwise Distance Distribution Graph Transformer for Crystal Material Property Prediction
  23 Aug 2024 0 repositories listed
• Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design
  21 Aug 2024 0 repositories listed
• Advancements in Molecular Property Prediction: A Survey of Single and Multimodal Approaches
  18 Aug 2024 0 repositories listed
• Out-of-distribution materials property prediction using adversarial learning based fine-tuning
  17 Aug 2024 0 repositories listed
• LipidBERT: A Lipid Language Model Pre-trained on METiS de novo Lipid Library
  12 Aug 2024 0 repositories listed
• SMILES-Mamba: Chemical Mamba Foundation Models for Drug ADMET Prediction
  11 Aug 2024 0 repositories listed
• Advancing Molecular Machine Learning Representations with Stereoelectronics-Infused Molecular Graphs
  8 Aug 2024 0 repositories listed
• Question Rephrasing for Quantifying Uncertainty in Large Language Models: Applications in Molecular Chemistry Tasks
  7 Aug 2024 0 repositories listed
• GNN-SKAN: Harnessing the Power of SwallowKAN to Advance Molecular Representation Learning with GNNs
  2 Aug 2024 0 repositories listed
• A Structured Framework for Predicting Sustainable Aviation Fuel Properties using Liquid-Phase FTIR and Machine Learning
  2 Aug 2024 0 repositories listed
• Distribution Learning for Molecular Regression
  30 Jul 2024 0 repositories listed
• RNACG: A Universal RNA Sequence Conditional Generation model based on Flow-Matching
  29 Jul 2024 0 repositories listed
• Graph Residual based Method for Molecular Property Prediction
  27 Jul 2024 0 repositories listed
• Enhancing material property prediction with ensemble deep graph convolutional networks
  26 Jul 2024 0 repositories listed
• Guided Latent Slot Diffusion for Object-Centric Learning
  25 Jul 2024 0 repositories listed
• Improved Uncertainty Estimation of Graph Neural Network Potentials Using Engineered Latent Space Distances
  15 Jul 2024 0 repositories listed
• Pre-training with Fractional Denoising to Enhance Molecular Property Prediction
  14 Jul 2024 0 repositories listed
• Token-Mol 1.0: Tokenized drug design with large language model
  10 Jul 2024 0 repositories listed
• MolTRES: Improving Chemical Language Representation Learning for Molecular Property Prediction
  9 Jul 2024 0 repositories listed
• FreeCG: Free the Design Space of Clebsch-Gordan Transform for Machine Learning Force Fields
  2 Jul 2024 0 repositories listed
• T- Hop: A framework for studying the importance path information in molecular graphs for chemical property prediction
  29 Jun 2024 0 repositories listed
• Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model
  28 Jun 2024 0 repositories listed
• Machine Learning Models for Accurately Predicting Properties of CsPbCl3 Perovskite Quantum Dots
  20 Jun 2024 0 repositories listed
• Equivariant Neural Tangent Kernels
  10 Jun 2024 0 repositories listed
• Topological Neural Networks go Persistent, Equivariant, and Continuous
  5 Jun 2024 0 repositories listed
• In-Context Learning of Physical Properties: Few-Shot Adaptation to Out-of-Distribution Molecular Graphs
  3 Jun 2024 0 repositories listed
• Scaffold Splits Overestimate Virtual Screening Performance
  2 Jun 2024 0 repositories listed
• Enhancing Generative Molecular Design via Uncertainty-guided Fine-tuning of Variational Autoencoders
  31 May 2024 0 repositories listed
• Sheaf HyperNetworks for Personalized Federated Learning
  31 May 2024 0 repositories listed
• Ensemble Model With Bert,Roberta and Xlnet For Molecular property prediction
  30 May 2024 0 repositories listed
• A General Approach for Determining Applicability Domain of Machine Learning Models
  28 May 2024 0 repositories listed
• Explainable Molecular Property Prediction: Aligning Chemical Concepts with Predictions via Language Models
  25 May 2024 0 repositories listed
• GLaD: Synergizing Molecular Graphs and Language Descriptors for Enhanced Power Conversion Efficiency Prediction in Organic Photovoltaic Devices
  23 May 2024 0 repositories listed
• Hybrid Quantum Graph Neural Network for Molecular Property Prediction
  8 May 2024 0 repositories listed
• HeMeNet: Heterogeneous Multichannel Equivariant Network for Protein Multitask Learning
  2 Apr 2024 0 repositories listed
• AlloyBERT: Alloy Property Prediction with Large Language Models
  28 Mar 2024 0 repositories listed
• A Straightforward Gradient-Based Approach for High-Tc Superconductor Design: Leveraging Domain Knowledge via Adaptive Constraints
  20 Mar 2024 0 repositories listed
• Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction
  14 Mar 2024 0 repositories listed
• Representing Molecules as Random Walks Over Interpretable Grammars
  13 Mar 2024 0 repositories listed
• Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints
  10 Mar 2024 0 repositories listed
• Molecule Design by Latent Prompt Transformer
  27 Feb 2024 0 repositories listed
• Material Microstructure Design Using VAE-Regression with Multimodal Prior
  27 Feb 2024 0 repositories listed
• BBA: Bi-Modal Behavioral Alignment for Reasoning with Large Vision-Language Models
  21 Feb 2024 0 repositories listed
• An Equivariant Pretrained Transformer for Unified 3D Molecular Representation Learning
  20 Feb 2024 0 repositories listed
• Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey
  11 Feb 2024 0 repositories listed

Syntology lines on 1 of the papers shown; no Syntology record for the others (a paper without an arXiv id cannot be joined to the graph, and absence from the graph layer is not a recorded non-run). “Ran” means the sample executed on a synthesized fixture, not that the paper's result was reproduced; each line links to that paper's sample list. Syntology's record for this page has not changed since 2026-09-28, the first build that kept a record date for it; when this build read Syntology's graph is in the build record. For agents: get_harvested_code_for_paper(arxiv_id) lists each paper's samples; how to connect.