Conf-GEM: A geometric information-assisted direct conformation generation model
Molecular conformations generation (MCG) aims to efficiently obtain reasonable and stable three-dimensional (3D) atomic coordinates of the atoms in the molecule from scratch, providing a structural foundation for molecular representation learning models and advanced downstream molecular design tasks...
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| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-12-01
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| Series: | Artificial Intelligence Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949747724000320 |
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