PyUp Safety actively tracks 308,767 Python packages for vulnerabilities and notifies you when to upgrade.
Here is the list of new additions: - local atom and bond features for graph convolutional networks - multiprocessing for local features, coulomb matrix and bag of bonds - multiobjective genetic algorithm These are significant additions that pave the way for upcoming descriptors, which support multiprocessing as well >>> deserves incrementing major beta version to v0.6 >>> more is coming in v0.6.x :)
- debugged the header issue with bag_of_bonds descriptors. - build is finally passed and tested on different platforms + added new installation instructions.
Fixed access to the static files in the datasets directory.
This is the 5th beta release so far. The 0.4.* versions are written in Python 2 and include chemml wrapper. The 0.5.0 version is compatible with Python 2 and 3. The 0.5.1-2 versions are only compatible with Python 3. We decided to phase out the support for Python 2. The 0.5.2 version provides efficient molecular descriptor implementations that only accept the built-in Molecule object as input.