UCL-CCS / TIES

Topology Superimposition based on joint graph traversal
MIT License
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Consider BOINC for TIES/ESMACS #148

Closed bieniekmateusz closed 2 years ago

bieniekmateusz commented 4 years ago

Both rely on easily parallelisable components which in some cases are also amenable to small jobs. For example: CPU jobs only even on small CPUs. Most of the ligands need only a few cores and adding more cores is just a waste of computational resources. Having an infrastructure that can handle this could improve several attributes.

Another alternative for this is to use a job Pilot that is supposed to take care of this case. Furthermore, the job pilot could also be connected to the concept of BOINC.