fix openeye check
try linux logo
try adding apple
try apple instead of osx
update badges and logo
add unnecessary print statements
fix exception handling and strings in cp_toolkits
try to unify mol_toolkit docs and usage
add temporarily so I can switch branches
fix broken cp_openeye
fix regex patterns to be r'string'
make environment.py more pythonic
update doc string at the top of environment.py
add version to conf.py
clean READMEs and test examples
update order on travis tests
updating doc strings and renaming MolFromSmiles to classmethod
add extraverbose run to travis
fix examples and molfromsmiles imports
refactor, add examples, fix imports throughout
add smirnoffish file and update data/smarts_files README
fix examples in README with new names
fix dictionary additions to be outside loops
fix return on rdk Mol
add blank line before Atom
address issue #84
update doc strings in environment.py
update chemicalenvironment tests with new smirks requirements
fix class references to not break in 3.7
update mol_toolkit tests to use TypeError instead of generic Exception
update doc strings in single_graph
remove AUTHOR section from individual scripts
remove docs/api/py in favor of new examples/py files
ref examples/*py in docs instead of local python files
update doc strings in cluster_graph
fix test_examples so it actually finds *.py files and runs them
openeye version in travis
stop example tests
rename examples test
update environment strings
Remove dep warning - switch #absclsmeth decorator to #abs and #classmeth
resolve py37 err --> make mol_toolkit.Mol have same sig as actual mols
add chemrxiv and update description
add version 1 to readme
No files changed.
Files | Coverage |
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chemper | 87.25% |
Project Totals (12 files) | 87.25% |
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