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Set up a BlazingSQL container in Google cloud Kubernetes Engine (GKE)

Protein-ligand contrastive learning

Short course for the Computational Earth Sciences group on Python tools and best practices.

Command line tool to enable reproducible workflows at scale with streamlined concurrency

This is the repo for Galaxy tools that we create within the NDIP project. At the deployment stage, the tools from this repo will be added to Galaxy.

Python modules for quantum thermochemistry calculations.