MANIFEST.in
README.rst
setup.py
pGrAdd/Consts.py
pGrAdd/DrawMol.py
pGrAdd/Error.py
pGrAdd/__init__.py
pGrAdd.egg-info/PKG-INFO
pGrAdd.egg-info/SOURCES.txt
pGrAdd.egg-info/dependency_links.txt
pGrAdd.egg-info/requires.txt
pGrAdd.egg-info/top_level.txt
pGrAdd.egg-info/zip-safe
pGrAdd/GroupAdd/DataDir.py
pGrAdd/GroupAdd/FindResStruc.py
pGrAdd/GroupAdd/Group.py
pGrAdd/GroupAdd/Library.py
pGrAdd/GroupAdd/Scheme.py
pGrAdd/GroupAdd/__init__.py
pGrAdd/RDkitWrapper/GenRxnNet.py
pGrAdd/RDkitWrapper/MolQuery.py
pGrAdd/RDkitWrapper/ReactionQuery.py
pGrAdd/RDkitWrapper/__init__.py
pGrAdd/RINGParser/Grammar.py
pGrAdd/RINGParser/MolQueryRead.py
pGrAdd/RINGParser/Parser.py
pGrAdd/RINGParser/ReactionQueryRead.py
pGrAdd/RINGParser/Reader.py
pGrAdd/RINGParser/__init__.py
pGrAdd/ThermoChem/__init__.py
pGrAdd/ThermoChem/base.py
pGrAdd/ThermoChem/group_data.py
pGrAdd/ThermoChem/incomplete.py
pGrAdd/ThermoChem/raw_data.py
pGrAdd/Units/__init__.py
pGrAdd/Units/builtin.py
pGrAdd/Units/db.py
pGrAdd/Units/helpers.py
pGrAdd/Units/parser.py
pGrAdd/Units/qty.py
pGrAdd/Units/utils.py
pGrAdd/data/BensonGA/library.yaml
pGrAdd/data/BensonGA/scheme.yaml
pGrAdd/data/BensonGA/surface_benson.lib.yaml
pGrAdd/data/BensonGA/gas_benson/corrections.yaml
pGrAdd/data/BensonGA/gas_benson/extra.yaml
pGrAdd/data/BensonGA/gas_benson/hydrocarbons.yaml
pGrAdd/data/BensonGA/gas_benson/hydrocarbons_original.yaml
pGrAdd/data/BensonGA/gas_benson/index.yaml
pGrAdd/data/BensonGA/gas_benson/nitrogenates.yaml
pGrAdd/data/BensonGA/gas_benson/original.yaml
pGrAdd/data/BensonGA/gas_benson/oxygenates.yaml
pGrAdd/data/BensonGA/gas_benson/radicals.yaml
pGrAdd/data/BensonGA/gas_benson/strain.yaml
pGrAdd/data/GRWAqueous2018/library.yaml
pGrAdd/data/GRWAqueous2018/scheme.yaml
pGrAdd/data/GRWAqueous2018/surface.yaml
pGrAdd/data/GRWAqueous2018/uq.yaml
pGrAdd/data/GRWSurface2018/library.yaml
pGrAdd/data/GRWSurface2018/scheme.yaml
pGrAdd/data/GRWSurface2018/surface.yaml
pGrAdd/data/GRWSurface2018/uq.yaml
pGrAdd/data/GRWSurface2019/library.yaml
pGrAdd/data/GRWSurface2019/scheme.yaml
pGrAdd/data/GRWSurface2019/surface.yaml
pGrAdd/data/GRWSurface2019/uq.yaml
pGrAdd/data/GuSolventGA2017Aq/library.yaml
pGrAdd/data/GuSolventGA2017Aq/scheme.yaml
pGrAdd/data/GuSolventGA2017Aq/surface.yaml
pGrAdd/data/GuSolventGA2017Aq/uq.yaml
pGrAdd/data/GuSolventGA2017Vac/library.yaml~8cc0e1759ef9401af959ccb831f2cd845bacef0b
pGrAdd/data/GuSolventGA2017Vac/library.yaml~HEAD
pGrAdd/data/GuSolventGA2017Vac/scheme.yaml~8cc0e1759ef9401af959ccb831f2cd845bacef0b
pGrAdd/data/GuSolventGA2017Vac/scheme.yaml~HEAD
pGrAdd/data/GuSolventGA2017Vac/surface.yaml
pGrAdd/data/GuSolventGA2017Vac/uq.yaml
pGrAdd/data/SalciccioliGA2012/library.yaml
pGrAdd/data/SalciccioliGA2012/scheme.yaml
pGrAdd/data/SalciccioliGA2012/surface.yaml
pGrAdd/data/SalciccioliGA2012/surface_benson.yaml
pGrAdd/tests/__init__.py
pGrAdd/tests/temp.py
pGrAdd/tests/test_RINGparser_RDkitwrapper_test.py
pGrAdd/tests/test_SMILES_to_thermo_examples.py
pGrAdd/yaml_io/__init__.py
pGrAdd/yaml_io/builtins.py
pGrAdd/yaml_io/common.py
pGrAdd/yaml_io/lib_interface.py
pGrAdd/yaml_io/schema.py
pGrAdd/yaml_io/yaml_io.py