| Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties | Feb 2, 2022 | Band Gap | CodeCode Available | 0 |
| Rethinking Gradient-Based Methods: Multi-Property Materials Design Beyond Differentiable Targets | Oct 11, 2024 | Band GapBayesian Optimization | CodeCode Available | 0 |
| Random projections and Kernelised Leave One Cluster Out Cross-Validation: Universal baselines and evaluation tools for supervised machine learning for materials properties | Jun 17, 2022 | Band GapBIG-bench Machine Learning | CodeCode Available | 0 |
| Using Scalable Computer Vision to Automate High-throughput Semiconductor Characterization | Mar 16, 2023 | Band Gap | CodeCode Available | 0 |
| Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction | Jun 12, 2023 | Band GapFormation Energy | CodeCode Available | 0 |
| MatMMFuse: Multi-Modal Fusion model for Material Property Prediction | Apr 30, 2025 | Band GapFormation Energy | CodeCode Available | 0 |
| 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 |
| 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 |
| Band-gap regression with architecture-optimized message-passing neural networks | Sep 12, 2023 | Band Gapband gap regression | CodeCode Available | 0 |
| Band gap prediction for large organic crystal structures with machine learning | Oct 30, 2018 | Band GapBIG-bench Machine Learning | CodeCode Available | 0 |
