| CrystalFormer-RL: Reinforcement Fine-Tuning for Materials Design | Apr 3, 2025 | Band GapDielectric Constant | CodeCode Available | 2 | 5 |
| LLM-Prop: Predicting Physical And Electronic Properties Of Crystalline Solids From Their Text Descriptions | Oct 21, 2023 | Band GapProperty Prediction | CodeCode Available | 1 | 5 |
| Pushing the Pareto front of band gap and permittivity: ML-guided search for dielectric materials | Jan 11, 2024 | Band GapDielectric Constant | CodeCode Available | 1 | 5 |
| Learning Extremal Representations with Deep Archetypal Analysis | Feb 3, 2020 | Band Gap | CodeCode Available | 1 | 5 |
| Dielectric Tensor Prediction for Inorganic Materials Using Latent Information from Preferred Potential | May 15, 2024 | Band GapDecoder | CodeCode Available | 1 | 5 |
| Establishing baselines for generative discovery of inorganic crystals | Jan 4, 2025 | Band GapLanguage Modeling | CodeCode Available | 1 | 5 |
| Materials Property Prediction with Uncertainty Quantification: A Benchmark Study | Nov 4, 2022 | Active LearningBand Gap | CodeCode Available | 1 | 5 |
| Scalable deeper graph neural networks for high-performance materials property prediction | Sep 25, 2021 | Band GapGraph Attention | CodeCode Available | 1 | 5 |
| Active learning based generative design for the discovery of wide bandgap materials | Feb 28, 2021 | Active LearningBand Gap | CodeCode Available | 1 | 5 |
| Inverse design of two-dimensional materials with invertible neural networks | Jun 6, 2021 | Band GapVocal Bursts Valence Prediction | CodeCode Available | 1 | 5 |
| Periodic Graph Transformers for Crystal Material Property Prediction | Sep 23, 2022 | Band GapFormation Energy | CodeCode Available | 1 | 5 |
| Distributed Representations of Atoms and Materials for Machine Learning | Jul 30, 2021 | Band GapBIG-bench Machine Learning | CodeCode Available | 1 | 5 |
| Crystal Graph Neural Networks for Data Mining in Materials Science | May 27, 2019 | Band GapFormation Energy | CodeCode Available | 1 | 5 |
| OQM9HK: A Large-Scale Graph Dataset for Machine Learning in Materials Science | Sep 30, 2022 | Band GapFormation Energy | CodeCode Available | 1 | 5 |
| 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 | 5 |
| Using Scalable Computer Vision to Automate High-throughput Semiconductor Characterization | Mar 16, 2023 | Band Gap | CodeCode Available | 0 | 5 |
| MatMMFuse: Multi-Modal Fusion model for Material Property Prediction | Apr 30, 2025 | Band GapFormation Energy | CodeCode Available | 0 | 5 |
| MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction | Nov 14, 2018 | Band GapBIG-bench Machine Learning | CodeCode Available | 0 | 5 |
| Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction | Jun 12, 2023 | Band GapFormation Energy | CodeCode Available | 0 | 5 |
| Rethinking Gradient-Based Methods: Multi-Property Materials Design Beyond Differentiable Targets | Oct 11, 2024 | Band GapBayesian Optimization | CodeCode Available | 0 | 5 |
| How to See Hidden Patterns in Metamaterials with Interpretable Machine Learning | Nov 10, 2021 | Band GapBIG-bench Machine Learning | CodeCode Available | 0 | 5 |
| Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties | Feb 2, 2022 | Band Gap | CodeCode Available | 0 | 5 |
| Band-gap regression with architecture-optimized message-passing neural networks | Sep 12, 2023 | Band Gapband gap regression | CodeCode Available | 0 | 5 |
| Deep-Learning Estimation of Band Gap with the Reading-Periodic-Table Method and Periodic Convolution Layer | Nov 16, 2019 | Band Gapband gap classification | CodeCode Available | 0 | 5 |
| Band gap prediction for large organic crystal structures with machine learning | Oct 30, 2018 | Band GapBIG-bench Machine Learning | CodeCode Available | 0 | 5 |
