PropMolFlow: Property-Guided Molecule Generation with Geometry-Complete Flow Matching
Fuente:
arXiv
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| Main Authors: | Zeng, Cheng, Jin, Jirui, Ambrose, Connor, Karypis, George, Transtrum, Mark, Tadmor, Ellad B., Hennig, Richard G., Roitberg, Adrian, Martiniani, Stefano, Liu, Mingjie |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | |
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