AlphaPulldown 0.21.6-foss-2021a-CUDA-11.3.1

AlphaPulldown is a Python package that streamlines protein-protein interaction screens and high-throughput modelling of higher-order oligomers using AlphaFold-Multimer.

Accessing AlphaPulldown 0.21.6-foss-2021a-CUDA-11.3.1

To load the module for AlphaPulldown 0.21.6-foss-2021a-CUDA-11.3.1 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load AlphaPulldown/0.21.6-foss-2021a-CUDA-11.3.1

BEAR Apps Version

2021a

Architectures

EL8-haswell (GPUs: NVIDIA P100) — EL8-icelake (GPUs: NVIDIA A100, NVIDIA A30)

The listed architectures consist of two part: OS-CPU.

  • BlueBEAR: The OS used on BlueBEAR is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.
  • BEAR and CaStLeS Cloud VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.

Extensions

  • AlphaPulldown 0.21.6
  • importlib_resources 5.9.0
  • py3Dmol 1.8.1

More Information

For more information visit the AlphaPulldown website.

Dependencies

This version of AlphaPulldown has a direct dependency on: AlphaFold/2.2.2-foss-2021a-CUDA-11.3.1 CUDA/11.3.1 foss/2021a JupyterLab/3.2.5-GCCcore-10.3.0 matplotlib/3.4.2-foss-2021a Python/3.9.5-GCCcore-10.3.0

Last modified on 6th October 2022