dxflow Hub

Curated catalog of production-ready workflows for scientific computing, data science, and engineering applications

The dxflow Hub is a curated catalog of production-ready workflows and applications. Each workflow is provided as a Docker Compose configuration optimized for deployment on dxflow infrastructure.

Deploy in Seconds: All workflows are ready to deploy with a single command through the dxflow CLI or web interface.

Workflow Categories

Browse workflows organized by scientific and engineering domains:

Genomics

DNA & RNA Analysis

Tools for sequencing data analysis, quality control, genome assembly, and variant calling.

Example workflows: FastQC, GATK, STAR, Salmon

Molecular

Molecular Simulations

Simulation engines for studying molecular behavior, protein dynamics, and material properties.

Example workflows: GROMACS, Amber, LAMMPS, NAMD

Structural

3D Structure Analysis

Cryo-EM processing, structure prediction, and molecular modeling tools.

Example workflows: Scipion, RELION, AlphaFold, PyMOL

Data Science

Analysis & Development

Interactive computing environments for data analysis, visualization, and machine learning.

Example workflows: Jupyter Lab, RStudio, VS Code Server

Fluid Flow

Computational Fluid Dynamics

CFD solvers for aerodynamics, heat transfer, and multiphase flow analysis.

Example workflows: OpenFOAM, SU2, ParaView

How Workflows Work

Each workflow in the hub includes:

Docker Compose File

Complete containerized application stack with all dependencies configured and ready to deploy.

Configuration Guide

Documentation covering setup, environment variables, volume mounts, and resource requirements.

Usage Examples

Practical examples showing how to run the workflow, process data, and retrieve results.

Best Practices

Optimization tips, troubleshooting guides, and performance tuning recommendations.

Quick Start

Deploy from Web Interface

Navigate to Apps & Pipelines in the dxflow interface
Click Browse Hub or Templates
Select a workflow from the category
Configure parameters and resource limits
Click Deploy

Deploy from CLI

# List available workflows in a category
ls hub/<category-name>/

# Deploy a workflow
dxflow compose create --identity my-workflow hub/<category>/<workflow>.yml

# Start the workflow
dxflow compose start my-workflow

# Monitor progress
dxflow compose logs my-workflow

# Check status
dxflow compose list

Workflow Structure

Each workflow file follows this structure:

# Standard Docker Compose format
version: '3.8'

services:
  app:
    image: <workflow-image>
    container_name: <workflow-name>

    # Environment configuration
    environment:
      - PARAM1=value1
      - PARAM2=value2

    # Volume mounts for data
    volumes:
      - ./data:/data
      - ./results:/results

    # Port mappings
    ports:
      - "8080:8080"

    # Resource limits
    deploy:
      resources:
        limits:
          cpus: '4'
          memory: 8G
        reservations:
          devices:
            - driver: nvidia
              count: 1
              capabilities: [gpu]