repo for Blackwell GPUs (RTX 6000)

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.

Start with the installation shell file in the linked 21tesla/PXDesign repository and reproduce the failure at the filtering stage on an RTX 6000 Blackwell GPU. Inspect the PXDesign and Protenix compatibility issues and the rdkit, biotite, and numpy version constraints; done means installation and filtering work on Blackwell.

Written by the indexing model from the issue text.