CODE_OF_CONDUCT.md
LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.cfg
devtools/scripts/create_conda_env.py
docs/conf.py
polymerist/__init__.py
polymerist/_version.py
polymerist/polymerist.py
polymerist/py.typed
polymerist.egg-info/PKG-INFO
polymerist.egg-info/SOURCES.txt
polymerist.egg-info/dependency_links.txt
polymerist.egg-info/not-zip-safe
polymerist.egg-info/requires.txt
polymerist.egg-info/top_level.txt
polymerist/analysis/__init__.py
polymerist/analysis/calculation.py
polymerist/analysis/mdtrajutils.py
polymerist/data/__init__.py
polymerist/data/look_and_say.dat
polymerist/genutils/__init__.py
polymerist/genutils/attrs.py
polymerist/genutils/bits.py
polymerist/genutils/containers.py
polymerist/genutils/duration.py
polymerist/genutils/filters.py
polymerist/genutils/iteration.py
polymerist/genutils/decorators/__init__.py
polymerist/genutils/decorators/classmod.py
polymerist/genutils/decorators/functional.py
polymerist/genutils/decorators/meta.py
polymerist/genutils/decorators/signatures.py
polymerist/genutils/fileutils/__init__.py
polymerist/genutils/fileutils/extensions.py
polymerist/genutils/fileutils/filetree.py
polymerist/genutils/fileutils/pathutils.py
polymerist/genutils/fileutils/jsonio/__init__.py
polymerist/genutils/fileutils/jsonio/jsonify.py
polymerist/genutils/fileutils/jsonio/serialize.py
polymerist/genutils/fileutils/jsonio/update.py
polymerist/genutils/importutils/__init__.py
polymerist/genutils/importutils/dependencies.py
polymerist/genutils/importutils/pkginspect.py
polymerist/genutils/importutils/pkgiter.py
polymerist/genutils/importutils/pyimports.py
polymerist/genutils/logutils/IOHandlers.py
polymerist/genutils/logutils/__init__.py
polymerist/genutils/logutils/timestamps.py
polymerist/genutils/sequences/__init__.py
polymerist/genutils/sequences/seqops.py
polymerist/genutils/sequences/discernment/__init__.py
polymerist/genutils/sequences/discernment/enumeration.py
polymerist/genutils/sequences/discernment/inventory.py
polymerist/genutils/sequences/discernment/strategies.py
polymerist/genutils/sequences/similarity/__init__.py
polymerist/genutils/sequences/similarity/distances.py
polymerist/genutils/sequences/similarity/edits.py
polymerist/genutils/textual/__init__.py
polymerist/genutils/textual/casing.py
polymerist/genutils/textual/delimiters.py
polymerist/genutils/textual/encoding.py
polymerist/genutils/textual/interpolation.py
polymerist/genutils/textual/ordinals.py
polymerist/genutils/textual/prettyprint.py
polymerist/genutils/textual/substrings.py
polymerist/genutils/trees/__init__.py
polymerist/genutils/trees/treebase.py
polymerist/genutils/trees/treecopy.py
polymerist/genutils/trees/treeviz.py
polymerist/genutils/typetools/__init__.py
polymerist/genutils/typetools/categorical.py
polymerist/genutils/typetools/numpytypes.py
polymerist/genutils/typetools/parametric.py
polymerist/graphics/__init__.py
polymerist/graphics/colors.py
polymerist/graphics/imageutils.py
polymerist/graphics/named_colors.py
polymerist/graphics/plotutils.py
polymerist/maths/__init__.py
polymerist/maths/primes.py
polymerist/maths/statistics.py
polymerist/maths/combinatorics/__init__.py
polymerist/maths/combinatorics/numbers.py
polymerist/maths/combinatorics/partitions.py
polymerist/maths/combinatorics/permutations.py
polymerist/maths/combinatorics/tables.py
polymerist/maths/fractions/__init__.py
polymerist/maths/fractions/continued.py
polymerist/maths/fractions/ratios.py
polymerist/maths/greek/__init__.py
polymerist/maths/greek/alphabet.py
polymerist/maths/greek/prefixes.py
polymerist/maths/lattices/__init__.py
polymerist/maths/lattices/bravais.py
polymerist/maths/lattices/coordinates.py
polymerist/maths/lattices/integral.py
polymerist/maths/linearalg/__init__.py
polymerist/maths/linearalg/affine.py
polymerist/maths/linearalg/decomposition.py
polymerist/maths/numbersys/__init__.py
polymerist/maths/numbersys/commonbases.py
polymerist/maths/numbersys/positional.py
polymerist/mdtools/__init__.py
polymerist/mdtools/lammpstools/__init__.py
polymerist/mdtools/lammpstools/lammpseval.py
polymerist/mdtools/lammpstools/unitstyles.py
polymerist/mdtools/openfftools/__init__.py
polymerist/mdtools/openfftools/_forcefields.py
polymerist/mdtools/openfftools/_toolkits.py
polymerist/mdtools/openfftools/boxvectors.py
polymerist/mdtools/openfftools/partition.py
polymerist/mdtools/openfftools/topology.py
polymerist/mdtools/openfftools/unitsys.py
polymerist/mdtools/openfftools/omminter/__init__.py
polymerist/mdtools/openfftools/omminter/mdobjects.py
polymerist/mdtools/openfftools/partialcharge/__init__.py
polymerist/mdtools/openfftools/partialcharge/molchargers.py
polymerist/mdtools/openfftools/partialcharge/rescharge/__init__.py
polymerist/mdtools/openfftools/partialcharge/rescharge/calculation.py
polymerist/mdtools/openfftools/partialcharge/rescharge/interface.py
polymerist/mdtools/openfftools/partialcharge/rescharge/rctypes.py
polymerist/mdtools/openfftools/partialcharge/rescharge/redistribution.py
polymerist/mdtools/openfftools/solvation/__init__.py
polymerist/mdtools/openfftools/solvation/packing.py
polymerist/mdtools/openfftools/solvation/physprops.py
polymerist/mdtools/openfftools/solvation/solvents/__init__.py
polymerist/mdtools/openmmtools/__init__.py
polymerist/mdtools/openmmtools/description.py
polymerist/mdtools/openmmtools/evaluation.py
polymerist/mdtools/openmmtools/execution.py
polymerist/mdtools/openmmtools/forcegroups.py
polymerist/mdtools/openmmtools/parameters.py
polymerist/mdtools/openmmtools/preparation.py
polymerist/mdtools/openmmtools/reporters.py
polymerist/mdtools/openmmtools/serialization.py
polymerist/mdtools/openmmtools/thermo.py
polymerist/molfiles/__init__.py
polymerist/molfiles/pdb.py
polymerist/polymers/__init__.py
polymerist/polymers/estimation.py
polymerist/polymers/exceptions.py
polymerist/polymers/monographs.py
polymerist/polymers/building/__init__.py
polymerist/polymers/building/linear.py
polymerist/polymers/building/mbconvert.py
polymerist/polymers/building/sequencing.py
polymerist/polymers/monomers/__init__.py
polymerist/polymers/monomers/conversion.py
polymerist/polymers/monomers/fragments.py
polymerist/polymers/monomers/repr.py
polymerist/polymers/monomers/specification.py
polymerist/polymers/smidgelib/__init__.py
polymerist/polymers/smidgelib/smidgebonds.py
polymerist/polymers/smidgelib/smidgeread.py
polymerist/polymers/smidgelib/smidgewrite.py
polymerist/rdutils/__init__.py
polymerist/rdutils/rdconvert.py
polymerist/rdutils/rderrors.py
polymerist/rdutils/rdgraphs.py
polymerist/rdutils/rdkdraw.py
polymerist/rdutils/rdprops.py
polymerist/rdutils/bonding/__init__.py
polymerist/rdutils/bonding/_bonding.py
polymerist/rdutils/bonding/dissolution.py
polymerist/rdutils/bonding/formation.py
polymerist/rdutils/bonding/identification.py
polymerist/rdutils/bonding/permutation.py
polymerist/rdutils/bonding/portlib.py
polymerist/rdutils/bonding/substitution.py
polymerist/rdutils/labeling/__init__.py
polymerist/rdutils/labeling/atomwise.py
polymerist/rdutils/labeling/bijection.py
polymerist/rdutils/labeling/bondwise.py
polymerist/rdutils/labeling/molwise.py
polymerist/rdutils/rdcoords/__init__.py
polymerist/rdutils/rdcoords/tiling.py
polymerist/rdutils/reactions/__init__.py
polymerist/rdutils/reactions/assembly.py
polymerist/rdutils/reactions/fragment.py
polymerist/rdutils/reactions/reactexc.py
polymerist/rdutils/reactions/reactions.py
polymerist/rdutils/reactions/reactors.py
polymerist/smileslib/__init__.py
polymerist/smileslib/chemdbqueries.py
polymerist/smileslib/primitives.py
polymerist/smileslib/substructures.py
polymerist/smileslib/functgroups/__init__.py
polymerist/smileslib/functgroups/_daylight_scrape.py
polymerist/tests/__init__.py
polymerist/tests/test_polymerist.py
polymerist/tests/analysis/__init__.py
polymerist/tests/data/__init__.py
polymerist/tests/data/correct_discernment_solution.json
polymerist/tests/data/sample.dat
polymerist/tests/data/dummy_dir/bar.txt
polymerist/tests/data/dummy_dir/foo.dat
polymerist/tests/data/dummy_dir/subdir1/spam.dat
polymerist/tests/data/dummy_dir/subdir1/subdir2/baz.txt
polymerist/tests/genutils/__init__.py
polymerist/tests/genutils/test_attrs.py
polymerist/tests/genutils/decorators/__init__.py
polymerist/tests/genutils/fileutils/__init__.py
polymerist/tests/genutils/fileutils/test_filetree.py
polymerist/tests/genutils/fileutils/jsonio/__init__.py
polymerist/tests/genutils/importutils/__init__.py
polymerist/tests/genutils/importutils/test_dependencies.py
polymerist/tests/genutils/importutils/test_pkginspect.py
polymerist/tests/genutils/logutils/__init__.py
polymerist/tests/genutils/sequences/__init__.py
polymerist/tests/genutils/sequences/discernment/__init__.py
polymerist/tests/genutils/sequences/discernment/test_discernment.py
polymerist/tests/genutils/sequences/similarity/__init__.py
polymerist/tests/genutils/textual/__init__.py
polymerist/tests/genutils/textual/test_substrings.py
polymerist/tests/genutils/trees/__init__.py
polymerist/tests/genutils/trees/test_trees.py
polymerist/tests/genutils/typetools/__init__.py
polymerist/tests/graphics/__init__.py
polymerist/tests/maths/__init__.py
polymerist/tests/maths/combinatorics/__init__.py
polymerist/tests/maths/fractions/__init__.py
polymerist/tests/maths/greek/__init__.py
polymerist/tests/maths/lattices/__init__.py
polymerist/tests/maths/linearalg/__init__.py
polymerist/tests/maths/numbersys/__init__.py
polymerist/tests/mdtools/__init__.py
polymerist/tests/mdtools/lammpstools/__init__.py
polymerist/tests/mdtools/openfftools/__init__.py
polymerist/tests/mdtools/openfftools/omminter/__init__.py
polymerist/tests/mdtools/openfftools/partialcharge/__init__.py
polymerist/tests/mdtools/openfftools/partialcharge/test_molchargers.py
polymerist/tests/mdtools/openfftools/partialcharge/rescharge/__init__.py
polymerist/tests/mdtools/openfftools/solvation/__init__.py
polymerist/tests/mdtools/openfftools/solvation/solvents/__init__.py
polymerist/tests/mdtools/openmmtools/__init__.py
polymerist/tests/molfiles/__init__.py
polymerist/tests/molfiles/test_pdb.py
polymerist/tests/polymers/__init__.py
polymerist/tests/polymers/building/__init__.py
polymerist/tests/polymers/building/test_linear.py
polymerist/tests/polymers/building/test_sequencing.py
polymerist/tests/polymers/monomers/__init__.py
polymerist/tests/polymers/monomers/test_repr.py
polymerist/tests/polymers/smidgelib/__init__.py
polymerist/tests/rdutils/__init__.py
polymerist/tests/rdutils/bonding/__init__.py
polymerist/tests/rdutils/labeling/__init__.py
polymerist/tests/rdutils/rdcoords/__init__.py
polymerist/tests/rdutils/reactions/__init__.py
polymerist/tests/smileslib/__init__.py
polymerist/tests/smileslib/functgroups/__init__.py
polymerist/tests/unitutils/__init__.py
polymerist/tests/unitutils/test_dimensions.py
polymerist/unitutils/__init__.py
polymerist/unitutils/dimensions.py
polymerist/unitutils/extraunits.py
polymerist/unitutils/physconsts.py
polymerist/unitutils/unitstr.py