Boltz only runs test 5c831

[jenchem-ot]

I'm aware that this is in beta stage testing so you may already be aware of these issues. However, since the notebook is live, maybe I am wrong.

Expected Behavior

After input of a protein and SMILE, the expected output would be for the provided protein compound and ligand.

Current Behavior

After input of a protein and SMILE, the only output is of the test case 5c831. Additionally, plddt files are in .npz format, not .json format, which is not compatible with easy read-in to ChimeraX for visualization.

Steps to Reproduce (for bugs)

The desired SMILES string is entered and all cells in the notebook are run. The ligand in question does not have a CCD code, so this space is left blank. However, the results populate with the sample SMILES string, not the input SMILES string.

ColabFold Output (for bugs)

The output file provided for download is "results_test_5c831.zip" and does not refer to the common name for the provided ligand.

Your Environment

T4 hosted colabfold runtime in Chrome browser