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

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.