Dear Team,
I hope you are doing well.
I am writing to report an issue with running Boltz within ChimeraX on my Ubuntu 24 LTS GPU workstation.
Until yesterday, Boltz was functioning correctly and I was able to successfully predict protein–ligand binding affinities. However, starting today, the workflow has begun failing with an error (line 125) during execution.
I have tried the following troubleshooting steps:
- Reinstalled ChimeraX and tested both the daily build and version 1.12
- Verified GPU functionality (other tools such as OpenFold are running without issues)
Current behavior:
- Boltz successfully predicts ligand-only structures
- Boltz successfully predicts protein-only structures
- However, it fails when attempting protein–ligand complex predictions. I tried using command line but didn't work.
This suggests the issue may be specific to the combined workflow rather than general installation or GPU configuration.
Could you please advise on:
1. Possible causes for this error (especially related to recent updates or dependencies)?
2. Any logs or debug steps I should provide?
3. Recommended fixes or configuration changes?
I would be happy to share error logs or system details if needed.
Thank you for your support.
Best regards,
Neha Gandhi