- STRING and GROUP attributes for DataPoints (rows in an ECNet-formatted database) can now be accessed as object attributes. For example:
>>> from ecnet.utils.data_utils import DataFrame
>>> df = DataFrame('my_database.csv')
>>> first_entry = df.data_points[0]
>>> print(first_entry.SMILES) # SMILES is a STRING column in the supplied database
C
>>> print(getattr(first_entry, 'Compound Name') # STRINGs with spaces are obtained like this
Methane
- Additional STRING columns can be supplied when creating an ECNet-formatted database
- Fixed issue where YAML package was throwing a loader warning
- Suppressed TensorFlow warnings about deprecation
- Updates to documentation
- Other minor changes
