add uv use examples
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.gitignore
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@@ -4,4 +4,5 @@ __pycache__/
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*.pyc# pixi environments
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.pixi/*
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!.pixi/config.toml
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*.egg-info/
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*.egg-info/
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*.zip
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README.md
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README.md
@@ -382,4 +382,36 @@ uv run embedding-atlas data/drugbank_split_merge.csv --text smiles
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如需调整默认镜像或端口,可在 `docker/docker-compose.yml` 中覆盖 `EMBEDDING_*` 环境变量,或在部署时通过 `.env` 文件注入。
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> 注意:由于 orchestrator 运行在容器内并通过 DinD 调度新容器,如需在宿主机直接访问 `embedding-atlas` 的 Web UI,需要确保相应端口从 `docker_engine_1` 转发到宿主,可按需求使用 `podman port` 或额外的反向代理。
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> 注意:由于 orchestrator 运行在容器内并通过 DinD 调度新容器,如需在宿主机直接访问 `embedding-atlas` 的 Web UI,需要确保相应端口从 `docker_engine_1` 转发到宿主,可按需求使用 `podman port` 或额外的反向代理。
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## 使用 uv 同步依赖并导出 ring12–20 ginhib≥30 的可视化应用
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- **同步依赖**
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```bash
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uv sync
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```
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- **导出独立网页 ZIP**(基于已合并的数据 `data/ring12-20_fragments_filtered_predicted_ginhib_ge30_merged.csv`)
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```bash
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uv run embedding-atlas data/ring12-20_fragments_filtered_predicted_ginhib_ge30_merged.csv \
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--text cleaned_smiles \
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--model all-MiniLM-L6-v2 \
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--export-application data/ring12-20_ginhib_ge30_visualization.zip
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```
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- **解压并本地预览 index.html**
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```bash
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unzip -o data/ring12-20_ginhib_ge30_visualization.zip -d data/ring12-20_ginhib_ge30_visualization
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```
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预览方式:
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- **VS Code Live Server 插件**:在解压目录中右键 `index.html` → “Open with Live Server”
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- **内置 HTTP 服务**(可选):
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```bash
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python -m http.server 8000 --directory data/ring12-20_ginhib_ge30_visualization
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# 浏览器打开 http://localhost:8000/index.html
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```
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网络提示:首次运行若需下载模型,可设置镜像以提升稳定性:
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```bash
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export HF_ENDPOINT=https://hf-mirror.com
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data/ring12-20_fragments_filtered_predicted_ginhib_ge10_merged.csv
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data/ring12-20_fragments_filtered_predicted_ginhib_ge10_merged.csv
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data/ring12-20_fragments_filtered_predicted_ginhib_ge30_merged.csv
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data/ring12-20_fragments_filtered_predicted_ginhib_ge30_merged.csv
Normal file
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Load Diff
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