Official file locations

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This document describes where files live, officially, on the cluster.

We have too many old copies of files. The intent is that we use this document to control the official location of files.

Organized by Topic

Where do we keep SMILES of big databases

/nfs/exb/rawsmiles/

Where do I look for dockable ZINC22

/nfs/exa/zinc22/3D


Where do I look for 2D SMILES of ZINC22

/nfs/exa/zinc22/2D

Organized by Location

disk what notes
db2 SSD 76TB /124TB fine tranches, smallworld
db3 SSD 118TB / 124 TB work
db5 SSD 124TB / 124TB smiles, zinc22
ex9 asdfasdf lots
exa qwer34 lots
exb 275 TB / 275 TB zinc22 tarballs
exc 275 TB / 275 TB zinc22 dockable
exd 275 TB / 275TB consolidate ex1-ex8


/nfs/exb/zinc22

This is where 3D databases of ZINC22 live. Within

  • The raw tarballs go in /nfs/exb/zinc22/tarballs/
  • 2D SMILES go

/nfs/exc/dock/zinc22

This is where the dockable version of zinc22 lives. It is organized by fine tranche HxxPyyy