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UnixJunkie / molenc

MolEnc: a molecular encoder using rdkit and OCaml.
BSD 3-Clause "New" or "Revised" License
19 stars 2 forks source link

molenc_gpr.py #150

Closed UnixJunkie closed 1 month ago

UnixJunkie commented 1 month ago

Support coma separated model files in --load. Output the average prediction in the output file then.

UnixJunkie commented 1 month ago

or manage this somewhere else, supporting only one or two models

UnixJunkie commented 1 month ago

done elsewhere