「smil」の検索結果

Performs root-cause analysis of a bug — from a GitHub issue, an issue URL, or a free-text description — before any reproduction or fix is written. TRIGGER when: triaging or diagnosing a bug, investigating why something misbehaves, an issue number/URL handed over for analysis, needing the root cause before touching code. DO NOT TRIGGER when: a failing reproduction test already exists and you are ready to fix → opsmill-dev-fixing-bugs; writing that reproduction test → opsmill-dev-test-driving-bugs; capturing a new bug as a ticket → opsmill-dev-creating-issues.

日本語の概要は準備中です。原文の説明を表示しています。

Writes a single failing test that reproduces a bug after its root-cause analysis is complete, before any fix is written. TRIGGER when: a bug has a completed root-cause analysis and you need the failing reproduction test, writing a test that proves a bug exists, the second step of the bug-fixing pipeline. DO NOT TRIGGER when: still triaging or diagnosing the bug → opsmill-dev-analyzing-bugs; implementing the fix once the test exists → opsmill-dev-fixing-bugs; general feature test-first work → superpowers test-driven-development.

日本語の概要は準備中です。原文の説明を表示しています。

Implements and validates the fix for a bug once a failing reproduction test exists. TRIGGER when: a bug has a failing reproduction test and you are ready to make it pass, implementing the root-cause fix, the final step of the bug-fixing pipeline. DO NOT TRIGGER when: no reproduction test exists yet → opsmill-dev-test-driving-bugs; still diagnosing, or asked to fix a bug with no analysis or reproduction test yet → opsmill-dev-analyzing-bugs.

日本語の概要は準備中です。原文の説明を表示しています。

Strict SMILES validation, structural comparison, and modification verification. Catches invalid LLM-generated molecules.

日本語の概要は準備中です。原文の説明を表示しています。

Builds figures that move or respond to the reader, in three tiers: SMIL animations and slider widgets inside lessons, interactive mechanism figures that show the named parts of a real system with a computed verdict, and ordered dither bands in the course palette. Triggers: "animated figure", "add a slider widget", "interactive figure", "show how this system works", "make this diagram move", "dither masthead", "mechanism figure", "figure fence".

日本語の概要は準備中です。原文の説明を表示しています。

Screen existing small-molecule libraries with Boltz. Use when docking, scoring, or ranking a supplied SMILES or compound library against a target; also returns free Tier-1 ADME/ADMET (solubility, permeability, lipophilicity/logD) per molecule. Not for de novo molecule design, one-off docking, or ADME on bare SMILES with no target (use boltz-small-molecule-adme).

日本語の概要は準備中です。原文の説明を表示しています。

Volatility Smile reference method. Use when studying this focused method, not to run an API request. External API-key access for its legacy endpoints is not published in this release.

日本語の概要は準備中です。原文の説明を表示しています。

Generate novel drug-like molecules using the GenMol NIM microservice. Use for de novo generation, scaffold decoration, motif extension, lead optimization, SAFE notation, QED or LogP ranking, hosted NVIDIA API calls, or local Docker deployment. GenMol takes SAFE notation in the smiles field, not ordinary SMILES.

日本語の概要は準備中です。原文の説明を表示しています。

Run the speckit implementation phase chunk-by-chunk in clean-context subagents, then review, then produce a final report. Picks up from an existing tasks.md.

日本語の概要は準備中です。原文の説明を表示しています。

Mines a pull request's review threads for lessons that generalize beyond that PR, reconstructs each against the actual code before deciding, checks whether it is already codified, and routes the genuinely-new, durable ones into Infrahub's internal documentation — `dev/knowledge/`, `dev/guides/`, `dev/guidelines/`, the `AGENTS.md` files, and `.agents/rules/` — proposing edits first and applying only with the user's approval. TRIGGER when: the user wants to turn PR review feedback into durable conventions, guidelines, or rules; capture recurring reviewer comments as internal documentation; or check whether review lessons are reflected in the knowledge/guides/guidelines/AGENTS.md/rules layer. DO NOT TRIGGER when: sweeping a feature's changes for documentation coverage across all layers → use `audit-docs`; extracting knowledge from completed spec directories → `speckit-opsmill-extract`; only replying to or resolving review threads → normal git/gh flow.

日本語の概要は準備中です。原文の説明を表示しています。

Run the full speckit workflow end-to-end — specify, plan, critique, tasks, implement, review — making all decisions autonomously. Stops before extract; run that manually.

日本語の概要は準備中です。原文の説明を表示しています。

Run the speckit preparation phases end-to-end — specify, plan, critique, tasks — making all decisions autonomously. Stops before implementation.

日本語の概要は準備中です。原文の説明を表示しています。

Produce a flow-level summary of the current Claude Code session — executive summary, chronological timeline, and outcomes — written into the active feature directory next to spec.md / plan.md.

日本語の概要は準備中です。原文の説明を表示しています。

Run a session retrospective that surfaces context-management gaps and routes them to approved follow-up actions.

日本語の概要は準備中です。原文の説明を表示しています。

Extract knowledge, guidelines, and ADRs from one or more completed spec directories into the project documentation system.

日本語の概要は準備中です。原文の説明を表示しています。

AiZynthFinder retrosynthetic route planning (CASP) from AstraZeneca Molecular AI. Monte Carlo tree search guided by a template-based neural expansion policy recursively disconnects a target SMILES until precursors are found in a purchasable stock. Covers config.yml (v4 format), aizynthcli batch screening, the AiZynthFinder/AiZynthExpander Python API, one-step disconnections, custom stocks via smiles2stock, scorers, Retro*/breadth-first/DFPN search alternatives, and reading output.json.gz / trees.json. Use for synthesis route planning, synthesizability screening, and building-block/precursor search. For reaction barriers use neb-irc-activation-energy; for 2D reaction scheme drawing use rdkit-chemdraw-cdxml.

日本語の概要は準備中です。原文の説明を表示しています。

Cheminformatics toolkit for fine-grained molecular control. Parse and write SMILES, SDF, MOL and InChI; compute descriptors (MW, LogP, TPSA, QED, Bertz); build fingerprints (Morgan/ECFP, RDKit, MACCS, atom pair, torsion) and score Tanimoto, Dice or cosine similarity; run SMARTS substructure search and reaction SMARTS; generate 2D depictions and ETKDG 3D conformers; extract Murcko scaffolds and canonical hashes; control sanitization and stereochemistry directly. Also trigger on rdkit, Chem.MolFromSmiles, rdFingerprintGenerator, SDMolSupplier, SMARTS query, ETKDG, or FilterCatalog. For standard workflows with a simpler interface use the datamol skill, which wraps RDKit; use rdkit for advanced control, custom sanitization, and specialized algorithms.

日本語の概要は準備中です。原文の説明を表示しています。

Produce a flow-level summary of the current Claude Code session — executive summary, chronological timeline, and outcomes — written into the active feature directory next to spec.md / plan.md.

日本語の概要は準備中です。原文の説明を表示しています。

Run the speckit preparation phases end-to-end — specify, plan, critique, tasks — making all decisions autonomously. Stops before implementation.

日本語の概要は準備中です。原文の説明を表示しています。

Run the speckit implementation phase chunk-by-chunk in clean-context subagents, then review, then produce a final report. Picks up from an existing tasks.md.

日本語の概要は準備中です。原文の説明を表示しています。

Run a session retrospective that surfaces context-management gaps and routes them to approved follow-up actions.

日本語の概要は準備中です。原文の説明を表示しています。

Run the full speckit workflow end-to-end — specify, plan, critique, tasks, implement, review — making all decisions autonomously. Stops before extract; run that manually.

日本語の概要は準備中です。原文の説明を表示しています。

Extract knowledge, guidelines, and ADRs from one or more completed spec directories into the project documentation system.

日本語の概要は準備中です。原文の説明を表示しています。

Run the full speckit workflow end-to-end — specify, plan, critique, tasks, implement, review — making all decisions autonomously. Stops before extract; run that manually.

日本語の概要は準備中です。原文の説明を表示しています。