Difference between revisions of "Sampledock"
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Revision as of 19:59, 18 July 2022
Description
Molecular design framework that merges generative AI and molecular docking (manuscript and webpage)
Environment Modules
Run module spider sampledock to find out what environment modules are available for this application.
System Variables
- HPC_SAMPLEDOCK_DIR - installation directory
- HPC_SAMPLEDOCK_BIN - executable directory