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Dataset and Checkpoints of MolEdit: In-silico 3D Molecular Editing through Physics-Informed and Peference-Aligned Generative Foundation Models

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https://zenodo.org/record/11115371
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This repository hosts the pre-trained checkpoints and data utilized for the development of MolEdit. The corresponding research paper, titled "In-silico 3D Molecular Editing through Physics-Informed and Peference-Aligned Generative Foundation Models" (an early version is preprinted at doi:10.26434/chemrxiv-2023-j2n6l-v2) and the corresponding GitHub repository of MolEdit details the application and validation of these checkpoints and data. For further information, please refer to the README.md file contained within this repository.
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2025-03-25
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