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Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted Molecules
View ORCID ProfileLucy Vost, View ORCID ProfileVijil Chenthamarakshan, View ORCID ProfilePayel Das, View ORCID ProfileCharlotte M. Deane
doi: https://doi.org/10.1101/2024.09.17.613136
Lucy Vost
1Department of Statistics, University of Oxford, Oxford, UK
Vijil Chenthamarakshan
2IBM Research, Yorktown Heights, New York, USA
Payel Das
2IBM Research, Yorktown Heights, New York, USA
Charlotte M. Deane
1Department of Statistics, University of Oxford, Oxford, UK
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Posted September 21, 2024.
Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted Molecules
Lucy Vost, Vijil Chenthamarakshan, Payel Das, Charlotte M. Deane
bioRxiv 2024.09.17.613136; doi: https://doi.org/10.1101/2024.09.17.613136
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