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| An Exploration of Conditioning Methods in Graph Neural Networks | May 3, 2023 | AttributeComputational chemistry | CodeCode Available | 0 | 5 |
| Gold-standard solutions to the Schrödinger equation using deep learning: How much physics do we need? | May 19, 2022 | Computational chemistry | CodeCode Available | 0 | 5 |
| Integrating convolutional layers and biformer network with forward-forward and backpropagation training | Feb 28, 2025 | Computational chemistryDrug Discovery | CodeCode Available | 0 | 5 |
| Flexible dual-branched message passing neural network for quantum mechanical property prediction with molecular conformation | Jun 14, 2021 | Computational chemistryMolecular Property Prediction | CodeCode Available | 0 | 5 |
| Improving Molecular Pretraining with Complementary Featurizations | Sep 29, 2022 | Computational chemistryDrug Discovery | CodeCode Available | 0 | 5 |
| First-principles molecular structure search with a genetic algorithm | Oct 13, 2015 | Computational chemistry | CodeCode Available | 0 | 5 |
| GEM-2: Next Generation Molecular Property Prediction Network by Modeling Full-range Many-body Interactions | Aug 11, 2022 | Computational chemistryDrug Discovery | CodeCode Available | 0 | 5 |
