Update README.md
Browse files
README.md
CHANGED
|
@@ -26,7 +26,13 @@ To construct a specialized knowledge database for emerging contaminants usage cl
|
|
| 26 |
| **Invitrodb_v4.3 Database** | The core database of US EPA ToxCast, storing a large amount of biological activity data, analysis workflows, and metadata of compounds generated by high-throughput screening (HTS) |
|
| 27 |
|
| 28 |
## Quick Start
|
| 29 |
-
1.
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 30 |
|
| 31 |
## System Architecture & Components
|
| 32 |
### Core Databases Deployment
|
|
|
|
| 26 |
| **Invitrodb_v4.3 Database** | The core database of US EPA ToxCast, storing a large amount of biological activity data, analysis workflows, and metadata of compounds generated by high-throughput screening (HTS) |
|
| 27 |
|
| 28 |
## Quick Start
|
| 29 |
+
1. Install Navicat on your computer and upload the **invitrodb_v4_3.sql** and **pubchemlite_exposomics_20251226.sql** databases.
|
| 30 |
+
2. Deploy Docker and Dify. Set the Docker engine according to **dockerengine_setting.txt**.
|
| 31 |
+
3. Create a custom tool named **sql_executor_pubchemlite_invitrodb_en** on the Dify platform. The detailed information for the schema tool is stored in **schema_tool.txt**. Note that you need to modify the URL address to your local address.
|
| 32 |
+
4. On the Dify platform, select Import DSL File and upload the **dify_CECs_annotating.yml**.
|
| 33 |
+
5. Before using this agent, you need to run Docker and the **step1_pubchemlite_invitrodb_to_dify_en.py** code. Note that in **step1_pubchemlite_invitrodb_to_dify_en.py**, the DB_CONFIGS needs to be modified to the username and password of your local SQL database.
|
| 34 |
+
6. Once the setup is complete, you can start running.
|
| 35 |
+
7. For batch queries, you can run the mini-program **step2_CECs_annotating_agent_v1.0.py**.
|
| 36 |
|
| 37 |
## System Architecture & Components
|
| 38 |
### Core Databases Deployment
|