.gitignore
README.md
setup.py
C++/.gitignore
C++/Makefile
C++/sample.cpp
C++/smartstest_usa.cpp
C++/substruct_test1.cpp
conda/environment.yml
data/boronic1.rxn
data/drugcentral_morganfp.tsv
data/drugcentral_morganfp_ward-clusters_dendrogram.png
data/drugs.smiles
data/drugs_bmscaf.png
data/heterocycle_reactions.csv
data/reactants.smiles
data/reaction.png
data/valium.png
data/valium.smiles
notebooks/CFChemDb-RDKTools_Demo.ipynb
notebooks/Cole-Enumerate-Heterocycles.ipynb
pgsql/Go_rdkpg_config.sh
pgsql/Go_rdkpg_test.sh
pgsql/NOTES.md
rdktools/__init__.py
rdktools.egg-info/PKG-INFO
rdktools.egg-info/SOURCES.txt
rdktools.egg-info/dependency_links.txt
rdktools.egg-info/top_level.txt
rdktools/db/App.py
rdktools/db/Utils.py
rdktools/db/__init__.py
rdktools/depict/App.py
rdktools/depict/DepictCgi.py
rdktools/depict/Mol2ImgCgi.py
rdktools/depict/MolAlign.py
rdktools/depict/Utils.py
rdktools/depict/__init__.py
rdktools/dgeom/App.py
rdktools/dgeom/DgeomCgi.py
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rdktools/dgeom/__init__.py
rdktools/formats/App.py
rdktools/formats/Utils.py
rdktools/formats/__init__.py
rdktools/fp/App.py
rdktools/fp/ClusterMols.py
rdktools/fp/Extras.py
rdktools/fp/FingerprintMols.py
rdktools/fp/MolSimilarity.py
rdktools/fp/Utils.py
rdktools/fp/__init__.py
rdktools/properties/App.py
rdktools/properties/Utils.py
rdktools/properties/__init__.py
rdktools/reactions/App.py
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rdktools/reactions/__init__.py
rdktools/scaffold/App.py
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rdktools/scaffold/__init__.py
rdktools/smarts/App.py
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rdktools/smarts/__init__.py
rdktools/standard/App.py
rdktools/standard/Utils.py
rdktools/standard/__init__.py
rdktools/util/Cansmi.py
rdktools/util/Utils.py
rdktools/util/View3dJsmolCgi.py
rdktools/util/__init__.py
rdktools/util/db/Utils.py
rdktools/util/db/__init__.py
rdktools/util/http/Utils.py
rdktools/util/http/__init__.py
rdktools/util/http/env_cgi.py
rdktools/util/http/mol2imghtm.py
rdktools/util/http/purgescratchdirs.py
rdktools/util/latex/Utils.py
rdktools/util/latex/__init__.py
rdktools/util/mp/Utils.py
rdktools/util/mp/__init__.py
rdktools/util/sklearn/ClusterFingerprints.py
rdktools/util/sklearn/__init__.py
rdktools/util/yaml/Utils.py
rdktools/util/yaml/__init__.py