Chem Query Platform Demo

This repository contains a chem-query-platform-demo showcasing how to use the chem-query-platform library.

Overview

The goal of this project is to demonstrate the configuration and execution of an Akka-based asynchronous data processing pipeline using the chem-query-platform library.

With this library, you can easily define and orchestrate a highly scalable and fault-tolerant data flow in an Akka cluster environment.

This demo specifically showcases a simple analyzer for an SDF (Structure Data File). Using interfaces such as TaskDescriptionSerDe, ResultAggregator, and DataProvider, it demonstrates a pipeline that processes an SDF file and counts the number of molecules contained within.

Features

• 🧪 Example integration of chem-query-platform
• ⚙️ Configurable Akka-based pipeline setup
• ⚡ Asynchronous data stream processing
• ☁️ Cluster-ready architecture using Akka Cluster
• 🧬 Demonstrates SDF file parsing and molecule counting

Getting Started

Note: This is a demo repository. Make sure to clone and explore the chem-query-platform for full library documentation.

Prerequisites

• JDK 17
• Gradle 8+
• PostgreSQL (used for data storage via Slick)
• Docker (optional for running PostgreSQL or simulating an Akka cluster)

Running the Demo

gradle clean build
docker-compose up --build

Once the application is running, you can upload an SDF file for processing using the following HTTP request:

Upload SDF File

POST http://localhost:80/api/v1/upload

Body: multipart/form-data

• file: (select your .sdf file or use files/example.sdf)

Configuration

Pipeline stages and Akka settings can be customized via application.conf in the resources directory.

Repository Structure

.
├── src/main/java           # Demo pipeline logic
├── resources/application.conf
├── build.gradle
└── README.md