Is there a way to download the complete XTC dataset from PlayMolecule?

[zqcai19]

Hi,
Thanks for releasing the mdCATH dataset — it’s an impressive and very useful resource!

I noticed that the XTC format trajectories hosted on PlayMolecule appear to be downloadable only one by one via the web interface. Is there currently a way to download the complete XTC dataset?

It would be very helpful for large-scale analysis and model training.

Thanks in advance!

[giadefa]

Via HuggingFace

…

On Thu, Jun 12, 2025 at 11:07 AM cai zhiqiang ***@***.***> wrote: *zqcai19* created an issue (compsciencelab/mdCATH#5) <#5> Hi, Thanks for releasing the mdCATH dataset — it’s an impressive and very useful resource! I noticed that the XTC format trajectories hosted on PlayMolecule appear to be downloadable only one by one via the web interface. Is there currently a way to download the complete XTC dataset? It would be very helpful for large-scale analysis and model training. Thanks in advance! — Reply to this email directly, view it on GitHub <#5>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AB3KUOTU5X7V3WVWUNPI2TT3DE7OTAVCNFSM6AAAAAB7EZXZCSVHI2DSMVQWIX3LMV43ASLTON2WKOZTGEZTSNBVGY2TIMY> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

[tonigi]

huggingface-cli download --repo-type dataset compsciencelab/mdCATH

Then you can convert using the utilities in the repo.