feat(toolkit): add classification and migration

Implement the standard/non-standard/not-macrolactone classification layer and integrate it into analyzer, fragmenter, and CLI outputs. Port the remaining legacy package capabilities into new visualization and workflow modules, restore batch/statistics/SDF scripts on top of the flat CSV workflow, and update active docs to the new package API.
2026-03-18 23:56:41 +08:00
parent 9ccbcfcd04
commit c0ead42384
24 changed files with 1497 additions and 313 deletions
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -13,6 +13,7 @@ authors = [
  { name = "Macro Split Team" },
 ]
 dependencies = [
+  "matplotlib>=3.10",
  "numpy>=1.26",
  "pandas>=2.2",
 ]