GB-GA

usage example:

python GA_logP.py ZINC_first_1000.smi

The idea is that the py file serves as an input file.

Name		Name	Last commit message	Last commit date
Latest commit History 35 Commits
.gitignore		.gitignore
GA_absorbance.py		GA_absorbance.py
GA_logP.py		GA_logP.py
GA_logP_analyse.py		GA_logP_analyse.py
GA_logP_target.py		GA_logP_target.py
GB_GA.py		GB_GA.py
LICENSE		LICENSE
README.md		README.md
SA_scores.txt		SA_scores.txt
ZINC_250k.smi		ZINC_250k.smi
ZINC_first_1000.smi		ZINC_first_1000.smi
crossover.py		crossover.py
cycle_scores.txt		cycle_scores.txt
fpscores.pkl.gz		fpscores.pkl.gz
logP_values.txt		logP_values.txt
mutate.py		mutate.py
sascorer.py		sascorer.py
scoring_functions.py		scoring_functions.py

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