Latest Research in Machine Learning in Materials Science
13 research papers · 0.1 average citations · 2026 median publication year
Top Research Topics in Machine Learning in Materials Science
- Machine Learning — 5 papers
- Machine Learning in Materials Science — 4 papers
- Computational Drug Discovery Methods — 2 papers
- Microbial Metabolic Engineering and Bioproduction — 1 papers
- Chemical Physics — 1 papers
Highest-Cited Papers
- In-Context Molecular Property Prediction with LLMs: A Blinding Study on Memorization and Knowledge Conflicts (1 citations)
- Exploration and validation of large language models as tools for molecular optimization
- BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models
- A Graph‐Based Machine Learning Framework to Assign Empirical Interaction Parameters for Novel Molecules
- Synergistic integration of large language models and knowledge graphs for intelligent metabolic pathway design in food synthetic biology
- Generative Active Learning for Molecular Design with REINVENT: Balancing Binding Affinity and Synthetic Accessibility
- Small Molecule Optimization with Large Language Models
- Simulation-Supervised Foundation Models for Retention Time Prediction in High-Performance Liquid Chromatography beyond Experimental Data Coverage
- Condition controllable generation of 3D molecules using textual prompts by multimodal equivariant diffusion model
- Adaptive teachers for amortized samplers
- MCCE: A Framework for Multi-LLM Collaborative Search in Discrete Spaces with Similarity-Filtered Preference Learning
- Deep Learning-Based Molecular Generation for Lung Cancer Therapeutics
- Conditional GraphGANFed: Optimizing Graph-Structured Molecule Generation in Federated Generative Adversarial Networks