Software Engineer

Insilico Medicine; Abu Dhabi; On-site; USD 60,000 - 100,000; Full time

Job summary

Join a pioneering company in the AI-driven pharma-biotechnology sector as a Software Engineer. In this exciting role, you'll develop Python-based tools for molecular simulations, contributing to groundbreaking advancements in drug discovery. Collaborate with experts in structural biology and computational chemistry while optimizing software for performance and scalability. This position offers the opportunity to work at the intersection of technology and science, making a real impact in the field. If you're passionate about software engineering and scientific innovation, this is the perfect opportunity for you.

Qualifications

• 5+ years of experience in software development, preferably in scientific computing.
• Strong programming skills in Python with a focus on scientific or numerical computing.

Responsibilities

• Design and maintain Python-based software tools for molecular simulations.
• Collaborate with scientists to gather requirements and design solutions.

Skills

Python

Software Development

Scientific Computing

Version Control (GIT)

CI/CD Pipelines

Cloud Computing (AWS, Azure)

Molecular Modeling

Documentation

Education

Master's degree in Computer Science

PhD in Software Engineering

Tools

GIT

AWS

Azure

Job description

About Insilico

Insilico Medicine is an end-to-end, artificial intelligence (AI)-driven pharma-biotechnology company with a mission to accelerate drug discovery and development by leveraging our proprietary platform across biology, chemistry, and clinical development.

For more info, visit our website: https://insilico.com

About Role

We are looking for a talented and motivated Software Engineer to join our computational structural biology team. In this role, you will prototype and maintain Python-based software tools for molecular simulations, supporting both unbiased (e.g., classical molecular dynamics) and biased techniques (e.g., alchemical transformations, metadynamics). Your work will contribute to the development of scalable, high-performance solutions for protein-ligand modeling, free energy calculations, and enhanced sampling workflows.

This is a technically focused position where strong software engineering skills are crucial. Familiarity with scientific domains such as structural biology or chemoinformatics is highly beneficial but secondary to your programming and system design capabilities.

Place of work

Level 6, Unit 08, Block A, IRENA HQ Building, Masdar City, Abu Dhabi, United Arab Emirates

Reports to

Computational Structural Biology Team Lead

Responsibilities

1. Design, prototype, and maintain Python-based software tools for molecular simulations
2. Write clean, modular, and maintainable code with a high level of abstraction and well-defined interfaces to ensure flexibility and scalability
3. Develop software components that integrate with existing molecular simulation packages and workflows
4. Build and maintain data pipelines for interfacing with scientific databases, including molecular structure and simulation results storage
5. Implement and maintain unit tests, integration tests, and CI/CD pipelines to ensure code quality and reliability
6. Optimize software for performance, scalability, and compatibility with cloud infrastructures (AWS, Azure)
7. Collaborate closely with structural biologists, computational chemists, and other software engineers to gather requirements, design solutions, and troubleshoot issues
8. Support development and maintenance of DevOps workflows for automated deployment, testing, and monitoring of scientific applications
9. Write clear technical documentation, including API references and user guides, to support internal users and future development
10. Participate in code reviews, design discussions, and team knowledge-sharing activities
11. Stay current with best practices in software engineering, cloud computing, and computational chemistry to propose and implement improvements

General Requirements:

I. Education

Master's degree or PhD in Computer Science, Software Engineering, Computational Chemistry, or a related field. Equivalent industry experience in scientific software development will also be considered.

II. Experience and Skills

• 5+ years of experience in software development, preferably in scientific computing or related fields
• Strong programming skills in Python, with a focus on scientific or numerical computing
• Working knowledge of version control systems such as GIT
• Experience with CI/CD pipelines and collaborative software development
• Exposure to DevOps practices and cloud environments (e.g., AWS, Azure) is desirable
• Proven experience in molecular modeling or simulation frameworks
• Understanding of both unbiased and biased simulation methods