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Hi all,
This is very much up for discussion: The current poli base setup pip installs rdkit, biopython, and selfies;
do we really want this?
The initial Zen of the poli base setup, was that numpy should be the only requirement and all other installations would be objective specific and we build dedicated environments for this.
We've come further along as poli develops and some things are nice to have up front,
however base poli now also requires specific packages like rdkit/biopython - is that really required?
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Hi all,
This is very much up for discussion: The current poli base setup pip installs
rdkit
,biopython
, andselfies
;do we really want this?
The initial Zen of the poli base setup, was that
numpy
should be the only requirement and all other installations would be objective specific and we build dedicated environments for this.We've come further along as poli develops and some things are nice to have up front,
however base poli now also requires specific packages like rdkit/biopython - is that really required?
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