molcloud 0.3.0-foss-2023a

This package draws molecules in a big canvas packed together.

Accessing molcloud 0.3.0-foss-2023a

To load the module for molcloud 0.3.0-foss-2023a please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load molcloud/0.3.0-foss-2023a

BEAR Apps Version

2023a

Architectures

EL8-cascadelake — EL8-icelake — EL8-sapphirerapids

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

Extensions

• molcloud 0.3.0

More Information

For more information visit the molcloud website.

Dependencies

This version of molcloud has a direct dependency on: foss/2023a matplotlib/3.7.2-gfbf-2023a networkx/3.1-gfbf-2023a pygraphviz/1.11-GCCcore-12.3.0 Python/3.11.3-GCCcore-12.3.0 RDKit/2024.03.3-foss-2023a SciPy-bundle/2023.07-gfbf-2023a tqdm/4.66.1-GCCcore-12.3.0

Last modified on 19th December 2024