Sampled Structures from Diffusion Models for Protein SHAPES

<p>Data associated with SHAPES (Structural and Hierarchical Assessment of Proteins with Embedding Similarity)</p> <ul> <li><code>rmsd.tar.gz</code> : RMSD and TM scores of ESMFold predicted structures with original designed backbones.</li> <li><code>mpnn.tar.gz</code> : ProteinMPNN designed sequences.</li> <li><code>raster.tar.gz</code> : CATH and sampled structures annotated with the grid square label after rasterization. Also includes the specific structures which are displayed in the raster plots.</li> <li><code>dssp.tar.gz</code> : Secondary structure frequences computed by DSSP.</li> <li><code>samples.tar.gz</code> : All sampled structures.</li> </ul> <p>Due to size, the ESMFold predicted structures for eight ProteinMPNN-designed sequences per sampled backbone are not included.</p> <p>&nbsp;</p> <p>Code: <code>proteinshapes-main.zip</code></p>