skills/admet_genetic/kernel.py

• _require_pandas · function · L39-L50 — def _require_pandas() -> Any
• _require_plotting · function · L53-L72 — def _require_plotting() -> tuple[Any, Any]
• standardize_smiles · function · L75-L108 — def standardize_smiles(smiles: str) -> tuple[str | None, str]
• canonicalize_smiles · function · L111-L124 — def canonicalize_smiles(smiles: str) -> str
• classify_admet_columns · function · L127-L144 — def classify_admet_columns( columns: list[str], admet_config: dict[str, Any] ) -> dict[str, str]
• _numeric_01 · function · L147-L165 — def _numeric_01(value: Any) -> float | None
• aggregate_admet_predictions · function · L168-L192 — def aggregate_admet_predictions( predictions: dict[str, Any], admet_config: dict[str, Any], ) -> tuple[float, list[str], dict[str, str]]
• operation_detail_json · function · L195-L210 — def operation_detail_json( operation: str, operator_detail: Any, child_canonical_smiles: str, parent_ids: list[str], parent_smiles: list[str], ) -> str
• validate_generation_log · function · L213-L254 — def validate_generation_log(frame: pd.DataFrame) -> None
• _clean_svg · function · L257-L260 — def _clean_svg(svg: str) -> str
• _mol_svg · function · L263-L284 — def _mol_svg(smiles: str, width: int = 150, height: int = 95) -> str
• _build_payload · function · L287-L350 — def _build_payload(log_path: Path) -> dict
• _setup_plot_style · function · L353-L382 — def _setup_plot_style() -> bool
• _figure_to_svg · function · L385-L392 — def _figure_to_svg(fig: plt.Figure) -> str
• _make_line_plot · function · L395-L442 — def _make_line_plot( frame: pd.DataFrame, series: list[tuple[str, str, str, str]], title: str, ylabel: str, ) -> str
• _build_plots · function · L445-L491 — def _build_plots(best_by_gen: list[dict]) -> dict
• _render_html · function · L979-L986 — def _render_html(payload: dict) -> str
• render_optimization_history · function · L989-L995 — def render_optimization_history(log_path: str | Path, out_path: str | Path) -> Path