| Accelerating Material Design with the Generative Toolkit for Scientific Discovery | Jul 8, 2022 | Drug DiscoveryMaterials Screening | CodeCode Available | 2 | 5 |
| Crystal Graph Neural Networks for Data Mining in Materials Science | May 27, 2019 | Band GapFormation Energy | CodeCode Available | 1 | 5 |
| Benchmarking the Performance of Bayesian Optimization across Multiple Experimental Materials Science Domains | May 23, 2021 | Active LearningBayesian Optimisation | CodeCode Available | 1 | 5 |
| Predicting materials properties without crystal structure: Deep representation learning from stoichiometry | Oct 1, 2019 | BIG-bench Machine LearningMaterials Screening | CodeCode Available | 1 | 5 |
| Materials property prediction using symmetry-labeled graphs as atomic-position independent descriptors | May 15, 2019 | BIG-bench Machine LearningFormation Energy | CodeCode Available | 0 | 5 |
| ET-AL: Entropy-Targeted Active Learning for Bias Mitigation in Materials Data | Nov 15, 2022 | Active LearningDiversity | CodeCode Available | 0 | 5 |
| MaterialsAtlas.org: A Materials Informatics Web App Platform for Materials Discovery and Survey of State-of-the-Art | Sep 9, 2021 | Band GapMaterials Screening | —Unverified | 0 | 0 |
| Physics in the Machine: Integrating Physical Knowledge in Autonomous Phase-Mapping | Nov 15, 2021 | Inductive BiasMaterials Screening | —Unverified | 0 | 0 |
| Predicting Lattice Phonon Vibrational Frequencies Using Deep Graph Neural Networks | Nov 10, 2021 | Graph Neural NetworkMaterials Screening | —Unverified | 0 | 0 |
| Multi-Task Multi-Fidelity Learning of Properties for Energetic Materials | Aug 21, 2024 | Materials Screening | —Unverified | 0 | 0 |
