GitHub - psytb6/EditedAizynth: Edited version of Aizynthfinder, a retrosynthetic planning tool, which adds a novel enhancement to the monte-carlo tree search used

psytb6 / EditedAizynth Public

Edited version of Aizynthfinder, a retrosynthetic planning tool, which adds a novel enhancement to the monte-carlo tree search used

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Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
__pycache__		__pycache__
analysis		analysis
chem		chem
context		context
data		data
interfaces		interfaces
search		search
tools		tools
training		training
125 pharma compounds summary.csv		125 pharma compounds summary.csv
CHANGELOG.md		CHANGELOG.md
CITATION.cff		CITATION.cff
LICENSE		LICENSE
__init__.py		__init__.py
aizynthfinder.py		aizynthfinder.py
chembl_1000_sample_notUSPTO_smiles_scscore.csv		chembl_1000_sample_notUSPTO_smiles_scscore.csv
config.yml		config.yml
coverage.xml		coverage.xml
env-dev.yml		env-dev.yml
env-users.yml		env-users.yml
poetry.lock		poetry.lock
pyproject.toml		pyproject.toml
tasks.py		tasks.py
temp_eUCT		temp_eUCT
tests_UCT_20_smiles		tests_UCT_20_smiles
tests_UCT_80_smiles		tests_UCT_80_smiles
tests_UCT_80_smiles_verify		tests_UCT_80_smiles_verify
tests_UCT_best_worst_100		tests_UCT_best_worst_100
tests_UCT_best_worst_300		tests_UCT_best_worst_300
tests_UCT_best_worst_500		tests_UCT_best_worst_500
tests_UCT_unsolved_2000		tests_UCT_unsolved_2000
tests_eUCT2_unsolved_2000		tests_eUCT2_unsolved_2000
tests_eUCT_20_smiles		tests_eUCT_20_smiles
tests_eUCT_34unsolved		tests_eUCT_34unsolved
tests_eUCT_80_smiles		tests_eUCT_80_smiles
tests_eUCT_80_smiles_verify		tests_eUCT_80_smiles_verify
tests_eUCT_best_worst_100		tests_eUCT_best_worst_100
tests_eUCT_best_worst_300		tests_eUCT_best_worst_300
tests_eUCT_best_worst_500		tests_eUCT_best_worst_500
tests_eUCT_unsolved_2000		tests_eUCT_unsolved_2000
tests_eUCT_unsolved_5000		tests_eUCT_unsolved_5000
trees.json		trees.json
trees.json.save		trees.json.save