| Active learning based generative design for the discovery of wide bandgap materials | Feb 28, 2021 | Active LearningBand Gap | CodeCode Available | 1 | 5 |
| Periodic Graph Transformers for Crystal Material Property Prediction | Sep 23, 2022 | Band GapFormation Energy | CodeCode Available | 1 | 5 |
| Crystal Graph Neural Networks for Data Mining in Materials Science | May 27, 2019 | Band GapFormation Energy | CodeCode Available | 1 | 5 |
| Learning Extremal Representations with Deep Archetypal Analysis | Feb 3, 2020 | Band Gap | 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 |
| Rethinking Gradient-Based Methods: Multi-Property Materials Design Beyond Differentiable Targets | Oct 11, 2024 | Band GapBayesian Optimization | CodeCode Available | 0 | 5 |
| Establishing Deep InfoMax as an effective self-supervised learning methodology in materials informatics | Jun 30, 2024 | Band GapFormation Energy | 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 |
| Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction | Jun 12, 2023 | Band GapFormation Energy | CodeCode Available | 0 | 5 |
