choderalab/refit-espaloma: Preprocessed data to train espaloma-0.3

<p>This is a collection of preprocessed data&nbsp;used to train <strong>espaloma-0.3</strong>, which is&nbsp;published in:</p> <p>Kenichiro Takaba, Iv&aacute;n Pulido,&nbsp;Pavan Kumar Behara, Mike Henry, Hugo MacDermott Opeskin, John D. Chodera, Yuanqing Wang.&nbsp;&quot;Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond&quot; (<a href="https://arxiv.org/abs/2307.07085">arXiv:2307.07085</a>)</p> <p>The provided data is compatible with the data generated at&nbsp;<a href="https://github.com/choderalab/refit-espaloma/tree/main/openff-default/02-train/merge-data">https://github.com/choderalab/refit-espaloma/tree/main/openff-default/02-train/merge-data</a>.</p>