Molecular Graph Transformer (MGT)

<p dir="ltr">This repository hosts the pre-trained version of the MGT for each task in the MatBench dataset and for the QMOF database. The code for the MGT and the two datasets with pre-compiled graphs are also provided here.</p><p><br></p><p dir="ltr">Please visit <a href="https://github.com/MolecularGraphTransformer/MGT" target="_blank">https://github.com/MolecularGraphTransformer/MGT</a>, which is the GitHub page for the model and contains more information on its usage.</p><p><br></p><p dir="ltr">If you wish to use the MGT, please visit the following publication:</p><ul><li>Anselmi, M., Slabaugh, G., Crespo-Otero, R., & Di Tommaso, D. (2024). Molecular Graph Transformer: Stepping Beyond ALIGNN Into Long-Range Interactions. DOI: <a href="https://doi.org/10.26434/chemrxiv-2024-rxwbc" target="_blank">10.26434/chemrxiv-2024-rxwbc</a></li></ul><p></p>