| CrystalFormer-RL: Reinforcement Fine-Tuning for Materials Design | Apr 3, 2025 | Band GapDielectric Constant | CodeCode Available | 2 | 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 |
| Distributed Representations of Atoms and Materials for Machine Learning | Jul 30, 2021 | Band GapBIG-bench Machine Learning | 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 |
| Dielectric Tensor Prediction for Inorganic Materials Using Latent Information from Preferred Potential | May 15, 2024 | Band GapDecoder | CodeCode Available | 1 | 5 |
| Crystal Graph Neural Networks for Data Mining in Materials Science | May 27, 2019 | Band GapFormation Energy | CodeCode Available | 1 | 5 |
| Establishing baselines for generative discovery of inorganic crystals | Jan 4, 2025 | Band GapLanguage Modeling | CodeCode Available | 1 | 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 |
