add uv use examples
This commit is contained in:
3
.gitignore
vendored
3
.gitignore
vendored
@@ -4,4 +4,5 @@ __pycache__/
|
|||||||
*.pyc# pixi environments
|
*.pyc# pixi environments
|
||||||
.pixi/*
|
.pixi/*
|
||||||
!.pixi/config.toml
|
!.pixi/config.toml
|
||||||
*.egg-info/
|
*.egg-info/
|
||||||
|
*.zip
|
||||||
34
README.md
34
README.md
@@ -382,4 +382,36 @@ uv run embedding-atlas data/drugbank_split_merge.csv --text smiles
|
|||||||
|
|
||||||
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。
|
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。
|
||||||
|
|
||||||
> 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。
|
> 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。
|
||||||
|
|
||||||
|
## 使用 uv 同步依赖并导出 ring12–20 ginhib≥30 的可视化应用
|
||||||
|
|
||||||
|
- **同步依赖**
|
||||||
|
```bash
|
||||||
|
uv sync
|
||||||
|
```
|
||||||
|
|
||||||
|
- **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`)
|
||||||
|
```bash
|
||||||
|
uv run embedding-atlas data/ring12-20_fragments_filtered_predicted_ginhib_ge30_merged.csv \
|
||||||
|
--text cleaned_smiles \
|
||||||
|
--model all-MiniLM-L6-v2 \
|
||||||
|
--export-application data/ring12-20_ginhib_ge30_visualization.zip
|
||||||
|
```
|
||||||
|
|
||||||
|
- **解压并本地预览 index.html**
|
||||||
|
```bash
|
||||||
|
unzip -o data/ring12-20_ginhib_ge30_visualization.zip -d data/ring12-20_ginhib_ge30_visualization
|
||||||
|
```
|
||||||
|
|
||||||
|
预览方式:
|
||||||
|
- **VS Code Live Server 插件**:在解压目录中右键 `index.html` → “Open with Live Server”
|
||||||
|
- **内置 HTTP 服务**(可选):
|
||||||
|
```bash
|
||||||
|
python -m http.server 8000 --directory data/ring12-20_ginhib_ge30_visualization
|
||||||
|
# 浏览器打开 http://localhost:8000/index.html
|
||||||
|
```
|
||||||
|
|
||||||
|
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:
|
||||||
|
```bash
|
||||||
|
export HF_ENDPOINT=https://hf-mirror.com
|
||||||
60523
data/ring12-20_fragments_filtered_predicted_ginhib_ge10_merged.csv
Normal file
60523
data/ring12-20_fragments_filtered_predicted_ginhib_ge10_merged.csv
Normal file
File diff suppressed because it is too large
Load Diff
52720
data/ring12-20_fragments_filtered_predicted_ginhib_ge30_merged.csv
Normal file
52720
data/ring12-20_fragments_filtered_predicted_ginhib_ge30_merged.csv
Normal file
File diff suppressed because it is too large
Load Diff
Reference in New Issue
Block a user