- [Feature] - 104 adds support for asteroid plots and distance matrix visualisation.
- [Feature] - 104 adds support for protein graph analytics (`graphein.protein.analysis`)
- [Feature] - 110 adds support for secondary structure & surface-based subgraphs
- [Feature] - 113 adds CLI support(!)
- [Feature] - 116 adds support for onehot-encoded amino acid features as node attributes.
- [Feature] - 119 Adds plotly-based visualisation for PPI Graphs
- [Bugfix] - 110 fixes minor bug in `asa` where it would fail if added as a first/only dssp feature.
- [Bugfix] - 110 Adds install for DSSP in Dockerfile
- [Bugfix] - 110 Adds conda install & DSSP to tests
- [Bugfix] - 119 Delaunay Triangulation computed over all atoms by default. Adds an option to restrict it to certain atom types.
- [Bugfix] - 119 Minor fixes to stability of RNA Graph Plotting
- [Bugfix] - 119 add tolerance parameter to add_atomic_edges
- [Documentation] - 104 Adds notebooks for visualisation, RNA SS Graphs, protein graph analytics
- [Documentation] - 119 Overhaul of docs & tutorial notebooks. Adds interactive plots to docs, improves docstrings, doc formatting, doc requirements.
Breaking Changes
- 119 - Refactor RNA Graph constants from graphein.rna.graphs to graphein.rna.constants. Only problematic if constants were accessed directly. All internal references have been moved accordingly.