momeara/SEAR
R Tools for working with the Similarity Ensemble Approach Program

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pack.library: Pack a SEA library

pack.library: Pack a SEA library
In momeara/SEAR: R Tools for working with the Similarity Ensemble Approach Program

Description Usage

Description

Pack a SEA library

Usage

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pack.library(molecules, targets, library_fname = NULL,
  fingerprint_type = "rdkit_ecfp", name = NULL, config_files = NULL,
  write.smi_args = list(), write.set_args = list(), verbose = F)

momeara/SEAR documentation built on May 23, 2019, 6:09 a.m.

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