A GPU-Accelerated Molecular Docking Workflow with Kubernetes and Apache Airflow.
Daniel Araújo de MedeirosGabin SchiefferJacob WahlgrenIvy Bo PengPublished in: ISC Workshops (2023)
Keyphrases
- gpu accelerated
- open source
- hiv protease
- finite element
- open source software
- real time
- workflow systems
- workflow management systems
- web server
- three dimensional
- business processes
- mailing lists
- workflow management
- sequence alignment
- coarse grained
- web services
- open source projects
- protein protein interactions
- scientific workflows
- drug discovery
- least squares
- artificial neural networks
- website
- web pages