2021.12.2

Description

Changes added during the LiveCoMS paper revision (kinase similarity edition T023-T028) + some documentation enhancements and CI/bug fixes

What's Changed

Kinase edition updates

• T028 sequence plot svg by @t-kimber in #214
• Identify kinase with the most structures. by @t-kimber in #215
• Add usage scope to notebooks by @dominiquesydow in #219
• T23 fig by @t-kimber in #235
• T028: Heatmap with similarity matrix by @t-kimber in #236
• T028 : Combined measures by @t-kimber in #237
• Base branch for T23-28 revisions by @dominiquesydow in #238
• Kinase similarity demo mode by @dominiquesydow in #239

Documentation updates

• Update README.md by @t-kimber in #202
• Update website (2021 collection + open website disclaimer) by @dominiquesydow in #207
• Update install details with conda-forge channel by @dominiquesydow in #208
• Update installation instructions by @dominiquesydow in #210
• Update citations (NAR, LiveCoMS) by @dominiquesydow in #246

CI and bug fixes

• Fix typos in T016. by @t-kimber in #205
• Fix pandas failure by @schallerdavid in #206
• Fixes for protonation of protein and binding site detection by @corey-taylor in #216
• Pin jinja2 to fix failing docs by @dominiquesydow in #217
• Fix CI failures by @schallerdavid in #222
• Run ci on weekly bases by @schallerdavid in #224
• Test docs every week on monday by @schallerdavid in #225
• Pin rdkit to fix kekulize error by @schallerdavid in #226
• Fix T008 under windows by @schallerdavid in #229
• fix github star link by @schallerdavid in #230
• Fix CI for T025 and T026 by @dominiquesydow in #234
• Fix black-nb in T019 by @t-kimber in #242

New Contributors

• @corey-taylor made their first contribution in #216

Full Changelog: 2021.12.1...2021.12.2