| CrystalFormer-RL: Reinforcement Fine-Tuning for Materials Design | Apr 3, 2025 | Band GapDielectric Constant | CodeCode Available | 2 |
| A Cartesian Encoding Graph Neural Network for Crystal Structures Property Prediction: Application to Thermal Ellipsoid Estimation | Jan 30, 2025 | ADP PredictionBand Gap | CodeCode Available | 1 |
| Establishing baselines for generative discovery of inorganic crystals | Jan 4, 2025 | Band GapLanguage Modeling | CodeCode Available | 1 |
| Dielectric Tensor Prediction for Inorganic Materials Using Latent Information from Preferred Potential | May 15, 2024 | Band GapDecoder | CodeCode Available | 1 |
| Pushing the Pareto front of band gap and permittivity: ML-guided search for dielectric materials | Jan 11, 2024 | Band GapDielectric Constant | CodeCode Available | 1 |
| LLM-Prop: Predicting Physical And Electronic Properties Of Crystalline Solids From Their Text Descriptions | Oct 21, 2023 | Band GapProperty Prediction | CodeCode Available | 1 |
| Materials Property Prediction with Uncertainty Quantification: A Benchmark Study | Nov 4, 2022 | Active LearningBand Gap | CodeCode Available | 1 |
| OQM9HK: A Large-Scale Graph Dataset for Machine Learning in Materials Science | Sep 30, 2022 | Band GapFormation Energy | CodeCode Available | 1 |
| Periodic Graph Transformers for Crystal Material Property Prediction | Sep 23, 2022 | Band GapFormation Energy | CodeCode Available | 1 |
| Scalable deeper graph neural networks for high-performance materials property prediction | Sep 25, 2021 | Band GapGraph Attention | CodeCode Available | 1 |
