Reproducing paper: "Benchmarking the Performance of Irregular Computations in AutoDock-GPU Molecular Docking"
-
Updated
Nov 24, 2022 - Shell
Reproducing paper: "Benchmarking the Performance of Irregular Computations in AutoDock-GPU Molecular Docking"
An API to interactively run the UCSF ChimeraX molecular visualization software on the Lonestar6 supercomputer.
Reproducing IA^3 2020 Paper: "Parallelizing Irregular Computations for Molecular Docking"
A quick and dirty virtual screening task for potential ligands of Flavobacterium johnsoniae Tyrosine Ammonia Lyase (FjTAL)
Add a description, image, and links to the molecular-docking topic page so that developers can more easily learn about it.
To associate your repository with the molecular-docking topic, visit your repo's landing page and select "manage topics."