v0.3.0 - 2020-12-23

cbouy released this 22 Dec 23:33

· 152 commits to master since this release

[0.3.0] - 2020-12-23

Added

Reading input directly from RDKit Mol as well as MDAnalysis AtomGroup objects
Proper documentation and tests
CI through GitHub Actions
Publishing to PyPI triggered by GitHub releases

Changed

All the API and the underlying code have been modified
Repository has been moved from GitHub user @cbouy to organisation @chemosim-lab

Deprecated

Removed

Custom MOL2 file reader
Command-line interface

Fixed

Interactions not detected properly

Assets 2