技能详情（站内镜像，无评论）
许可证：MIT-0
MIT-0 ·免费使用、修改和重新分发。无需归因。
版本：v1.0.2
统计：⭐ 0 · 49 · 0 current installs · 0 all-time installs
⭐ 0
安装量（当前） 0
🛡 VirusTotal ：良性 · OpenClaw ：良性
Package：ashipiling/drugflow-api
安全扫描（ClawHub）
- VirusTotal ：良性
- OpenClaw ：良性
OpenClaw 评估
The skill's code, instructions, and requirements are coherent for a DrugFlow API workflow: it runs HTTP calls, may read local PDB/ligand files and upload them to a configured base_url, and does not request unrelated credentials or install arbitrary third-party code.
目的
The name/description (end-to-end DrugFlow API flows) matches the included scripts and reference docs. The scripts perform sign-in, workspace/balance/job operations, create jobs, upload datasets and poll results — all expected for this purpose.
说明范围
SKILL.md and the scripts direct the agent to run flow scripts that will read local files (PDB, ligands, smiles files) and send them to the provided base_url. This behavior is coherent with docking/structure/VS flows, but it means the agent will access and transmit local files when asked to run those flows.
安装机制
No install spec; the skill ships Python scripts only. No external installers, downloads, or package installs are requested by the skill metadata.
证书
The skill does not request environment variables or platform credentials. It expects runtime parameters (base_url, email, password) passed to scripts — which is appropriate for authenticating to a DrugFlow deployment, but those credentials will be transmitted to whatever base_url is supplied, so the target URL must be trusted.
持久
always is false and there is no installation hook or config mutation. The skill does network I/O and file I/O when executed but does not request elevated system privileges or persistent autorun.
综合结论
This skill appears to do what it claims: run DrugFlow API flows and upload/submit files to a DrugFlow server. Before installing or invoking it, verify the source (there's no homepage and the owner is unknown), and only point scripts to a trusted base_url. Be aware that running flows will read local PDB/ligand/smiles files and transmit them (and will send supplied email/password) to the configured server — avoid running it against untrusted end…
安装（复制给龙虾 AI）
将下方整段复制到龙虾中文库对话中，由龙虾按 SKILL.md 完成安装。
请把本段交给龙虾中文库（龙虾 AI）执行：为本机安装 OpenClaw 技能「DrugFlow」。简介：Multi-flow API workflow skill for this DrugFlow Django repository. Use when an …。
请 fetch 以下地址读取 SKILL.md 并按文档完成安装：https://raw.githubusercontent.com/openclaw/skills/refs/heads/main/skills/ashipiling/drugflow-api/SKILL.md
（来源：yingzhi8.cn 技能库）SKILL.md
---
name: drugflow-skills
description: Multi-flow API workflow skill for this DrugFlow Django repository. Use when an agent needs executable end-to-end API procedures such as login/register, workspace and balance retrieval, job listing, virtual screening, docking, ADMET, rescoring, structure extraction, and molecular factory.
---
# DrugFlow Skills
Route requests to the correct DrugFlow API flow and execute with minimal ambiguity.
## Flow Selection
1. Read [references/index.md](references/index.md) first.
2. Match user intent to one flow.
3. Load only that flow's reference files.
4. Prefer script execution from `scripts/<flow>/` when available.
## Current Flows
1. Common APIs: reusable auth/workspace/balance/jobs APIs available.
2. Virtual screening: complete flow available.
3. Docking: complete flow available.
4. ADMET: complete flow available.
5. Rescoring: complete flow available.
6. Structure extract: complete flow available (`img2mol` backend type).
7. Molecular factory: complete flow available (with atom-selection helpers).
## Common APIs Workflow
1. Read [references/flows/common-apis/call-flow.md](references/flows/common-apis/call-flow.md).
2. Read [references/flows/common-apis/payloads.md](references/flows/common-apis/payloads.md).
3. Reuse `scripts/common/drugflow_api.py` for:
- `signin`
- `signup`
- `list_workspaces` / `create_workspace` / `ensure_workspace`
- `get_balance`
- `list_jobs`
4. Use `scripts/common/test_common_apis.py` for direct smoke tests.
## Virtual Screening Workflow
1. Read [references/flows/virtual-screening/call-flow.md](references/flows/virtual-screening/call-flow.md).
2. Read [references/flows/virtual-screening/payloads.md](references/flows/virtual-screening/payloads.md).
3. Use `scripts/virtual-screening/run_vs_flow.py` for end-to-end execution.
4. Always include `ws_id` for `/api/jobs` list/detail.
5. For `/api/jobs` create, pass `name`, `type`, `args` (JSON string), `ws_id`; in non-private mode include `expect_tokens` and `avail_tokens`.
## Docking Workflow
1. Read [references/flows/docking/call-flow.md](references/flows/docking/call-flow.md).
2. Read [references/flows/docking/payloads.md](references/flows/docking/payloads.md).
3. Use `scripts/docking/run_docking_flow.py` for end-to-end execution.
4. Create docking jobs through `POST /api/jobs` with multipart fields `pdb`, `ligands`, `pdb_content`, and `args`.
5. Site-driven docking box note: when `--site` is provided but `center/size/radius` are omitted, the script auto-derives the docking box from that site in local PDB.
6. Always include `ws_id` on job list/detail requests and pass `expect_tokens`/`avail_tokens` in non-private mode.
## ADMET Workflow
1. Read [references/flows/admet/call-flow.md](references/flows/admet/call-flow.md).
2. Read [references/flows/admet/payloads.md](references/flows/admet/payloads.md).
3. Use `scripts/admet/run_admet_flow.py` for end-to-end execution.
4. ADMET job type is fixed to `admet-dl`.
5. Support two input modes:
- direct `smiles` list
- dataset mode via `dataset_id + smiles_col`
6. For `/api/jobs` create, pass `name`, `type=admet-dl`, `args`, `ws_id`, and in non-private mode `expect_tokens`/`avail_tokens`.
## Rescoring Workflow
1. Read [references/flows/rescoring/call-flow.md](references/flows/rescoring/call-flow.md).
2. Read [references/flows/rescoring/payloads.md](references/flows/rescoring/payloads.md).
3. Use `scripts/rescoring/run_rescoring_flow.py` for end-to-end execution.
4. Create rescoring jobs through `POST /api/jobs` with:
- `type=rescoring`
- form fields `pdb`, `ligands`, `smiles_col`
- `args.mode=semi` and `args.rescoring_functions`
5. Script enforces input files: `--pdb-file` must be `.pdb`, `--ligands-file` must be `.sdf`.
6. Always include `ws_id`; in non-private mode include `expect_tokens` and `avail_tokens`.
## Structure Extract Workflow
1. Read [references/flows/structure-extract/call-flow.md](references/flows/structure-extract/call-flow.md).
2. Read [references/flows/structure-extract/payloads.md](references/flows/structure-extract/payloads.md).
3. Use `scripts/structure-extract/run_structure_extract_flow.py` for end-to-end execution.
4. User-facing "结构提取" maps to backend job `type=img2mol`.
5. For create, pass `name`, `type=img2mol`, `args` (`dataset_id`, `page_list`), `ws_id`, and in non-private mode `expect_tokens`/`avail_tokens`.
6. `dataset_id` must be img2mol-compatible and include `extras.osskey`.
## Molecular Factory Workflow
1. Read [references/flows/molecular-factory/call-flow.md](references/flows/molecular-factory/call-flow.md).
2. Read [references/flows/molecular-factory/payloads.md](references/flows/molecular-factory/payloads.md).
3. Use `scripts/molecular-factory/run_molecular_factory_flow.py`:
- `atom-info`
- `extract-partial`
- `draw-atom-index`
- `create-job`
4. Default to non-docking molecular factory unless user explicitly asks for docking:
- `args.need_docking=false`
- `args.pdb_use.*=false`
5. Default generation models:
- `args.molgen_algos=["Frag-GPT","REINVENT"]`
6. Use helper APIs first to confirm `selected_atoms/start_atoms`, then submit `molecular_factory` job.
7. Always pass `ws_id`; in non-private mode include `expect_tokens` and `avail_tokens`.
## Output Contract
1. Return method + endpoint + required parameters for each step.
2. Return key ids and state: `ws_id`, `job_id`, `state`, result `count`.
3. When running scripts, return command + important outputs.
## Expansion Rules
1. Add new flow docs under `references/flows/<flow>/` with `call-flow.md` and `payloads.md`.
2. Add runnable scripts under `scripts/<flow>/`.
3. Update [references/index.md](references/index.md) and this file's `Current Flows` section.
## References
1. [references/index.md](references/index.md)
2. [references/flows/common-apis/call-flow.md](references/flows/common-apis/call-flow.md)
3. [references/flows/common-apis/payloads.md](references/flows/common-apis/payloads.md)
4. [references/flows/virtual-screening/call-flow.md](references/flows/virtual-screening/call-flow.md)
5. [references/flows/virtual-screening/payloads.md](references/flows/virtual-screening/payloads.md)
6. [references/flows/docking/call-flow.md](references/flows/docking/call-flow.md)
7. [references/flows/docking/payloads.md](references/flows/docking/payloads.md)
8. [references/flows/admet/call-flow.md](references/flows/admet/call-flow.md)
9. [references/flows/admet/payloads.md](references/flows/admet/payloads.md)
10. [references/flows/molecular-factory/call-flow.md](references/flows/molecular-factory/call-flow.md)
11. [references/flows/molecular-factory/payloads.md](references/flows/molecular-factory/payloads.md)
12. [references/flows/rescoring/call-flow.md](references/flows/rescoring/call-flow.md)
13. [references/flows/rescoring/payloads.md](references/flows/rescoring/payloads.md)
14. [references/flows/structure-extract/call-flow.md](references/flows/structure-extract/call-flow.md)
15. [references/flows/structure-extract/payloads.md](references/flows/structure-extract/payloads.md)