Our company: Entalpic

We are a dedicated team at the forefront of AI and chemistry, working to accelerate the energy transition. Our focus is on discovering new chemicals and materials that can lead to more sustainable practices in sectors where the need for change is most urgent. Specifically, we develop a modern generative AI platform to discover new catalysts that optimize chemical reactions, significantly reducing CO2 emissions and thus making a substantial impact on the environment.

As an early-stage AI-driven startup backed by significant funding (>5m), we base our approach on state-of-the-art academic research to drive practical business solutions. We value clear communication and simplicity in our approaches, promoting a constant optimization mindset.

Join Entalpic to be part of a growing team, eager to learn and adapt, united by the belief that our technology can make a significant positive impact and contribute to transforming carbon-intensive industries for a sustainable future.

Co-founders: Mathieu Galtier, Victor Schmidt, Alexandre Duval

Entalpic is dedicated to equal opportunity employment and fosters an environment that is open and respectful of diversity. All applicants are encouraged to apply, even if you don’t meet all above requirements. If you have passion for our mission and believe you can contribute, we want to hear from you. 

Reporting & Job Location

You will report to the CTO of Entalpic and will be located in our Paris offices.

Mission Highlights

As a Full-Stack ML Software Engineer at Entalpic, your role will be to drive the development and optimization of our AI-driven materials discovery platform from a software perspective. You will drive the very core of our platform with a focus on high quality software engineering, code parallelization (like reinforcement learning environments), optimizing scientific computing tasks, and deploying robust cloud infrastructure. You will collaborate closely with our research and engineering teams (~10 people) to enhance the performance, scalability, and impact of our AI platform.

Role & Responsibilities

This position is the keystone to our company’s core initiative to build a platform to discover materials to optimize carbon-intensive industries. You will lead the architectural choices and software developments in close collaboration with other ML engineers in the team.  You will be responsible for:

• Software Development: Develop and maintain high-quality code, implementing best practices for software development, including code reviews, testing, and version control.

• Data management: Design and implement systems for efficient data storage, retrieval, and organization to handle large datasets crucial for machine learning models and chemical research. This includes the development of procedures and processes to ensure the traceability of data, models and training pipelines.

• Parallelization and Performance Optimization: Design and implement parallelized code to speed-up CPU-bound tasks. Optimize existing code for performance, particularly in environments running simulations or reinforcement learning-like tasks.

• Computational infrastructure: Design and deploy cloud-based HPC-like/bare-metal infrastructure. Set up and maintain DevOps/MLOps pipelines for ML projects. Implement and manage distributed training workflows and tools. Ensure scalability and cost-effectiveness.

• Support for ML Engineers: Assist other ML engineers with performance issues, including GPU performance, particularly those related to deep learning frameworks. Provide support for optimizing and debugging code where necessary.

• Collaboration and Communication: Work closely with other engineers and scientists in the team to foster a collaborative environment through clear documentation and mutual learning. Participate in team meetings and strategic discussions.

Profile

• M.S in Computer Science, Engineering, or a related field with a strong background in software development and scientific computing.

• Solid professional experience with software development, with a deep understanding of scientific computing and low-level optimizations.

• Appetite to explore the material science domain and to accelerate discovery in this field.

• Excellent communication skills in English.

• Proven ability to work with interdisciplinary teams.

• Strong analytical skills and problem-solving ability.

• Thrives in a fast-paced, evolving startup environment.

Expertise

• Software Development: Excellent software engineering skills in Python and C++, with experience in software development best practices, semantic versioning and version control systems such as Git. Experience managing hybrid closed / open code bases is a big plus.

• Data Management and Storage: Knowledge of SQL and NoSQL databases, data warehousing solutions, and data management best practices.

• Parallel Programming: Ability to design and implement parallelized code using multi-threading, multi-processing, and distributed computing frameworks.

• Machine Learning Frameworks: Proficiency in PyTorch and familiarity with JAX and frameworks like PyTorch Lightning, Torch Fabric, DeepSpeed, etc.

• GPU Optimization: Experience in optimizing GPU utilization and performance in the context of deep learning training tasks. Experience developing and optimizing CUDA code for GPU acceleration is a plus.

• MLOps: Experience with deploying and managing machine learning models, including familiarity with CI/CD, containerization technologies (e.g., Docker, Kubernetes), and distributed training.

• Cloud Infrastructure: Experience in designing and deploying cloud-based infrastructure, with knowledge of cloud service providers (e.g., AWS, Azure, Google Cloud). Understanding of physical simulations (Molecular Dynamics, DFT, etc.) is a plus.

Compensation & benefits

We are a no-nonsense startup, where we favor a sustainable culture promoting work-life balance and good compensation over foosball tables and free food. We offer:

• A competitive salary

• Equity (BSPCE), to reflect the value you bring to Entalpic and to foster a shared journey

• Comprehensive health insurance (Alan blue)

• French level paid leave and time-off work

• Dynamic work setting. Although our preference is for in-person collaboration, we will be flexible with occasional remote work arrangements.

• and more to come as we grow