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

Research datakeyboard_double_arrow_right Dataset 26 Oct 2024Publisher:Zenodo
Authors: Lin, Xiaohan;

doi: 10.5281/zenodo.13995116 , 10.5281/zenodo.11115371 , 10.5281/zenodo.15893354 , 10.5281/zenodo.15480816 , 10.5281/zenodo.14059069 , 10.5281/zenodo.15080465

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

Abstract

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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    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average