Fe database: Difference between revisions

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they are also available on Wynton
they are also available on Wynton
/wynton/group/bks/iron-24/





Revision as of 21:51, 17 May 2024

Fe, which is the Enumeration of the Hartenfeller and other reliable reactions, can be found

on our cluster at /nfs/exj/Fe/

Using Chemspace Building Blocks (480K) the enumerations are in

/mnt/nfs/exj/Fe/Chemspace0324/ChemspaceBB_enumerated

there are also some in /mnt/nfs/exj/Fe/Chemspace0324/170split

they are also available on Wynton /wynton/group/bks/iron-24/


They are also available on AWS. aws:///zinc3d/Fe/