repo for Blackwell GPUs (RTX 6000)

[21tesla]

https://github.com/21tesla/PXDesign/

contains an installation shell file that builds and patches the original PXDesign repo.

It will fail at the filtering stage due to an unresolved incompatibility of PXDesign with later versions of Protenix. Old APIs (rdkit and biotite) used by PXDesign, in turn, require older versions of numpy and others that are not compatible with Blackwell.

[guanjq]

Thanks for pointing this out!

At the moment, we primarily test and support the versions pinned in the official installation instructions. If you’ve identified concrete fixes or compatibility adjustments on the PXDesign side, we’d be very happy to review them as a PR — that would be the most effective way for us to evaluate and discuss what makes sense to support upstream.

Thanks again for taking a look and for the helpful feedback.