Senior AI Scientist – Molecular Discovery Lead

Pierre Fabre Pharmaceuticals, Inc.; Toulouse; Hybrid; EUR 90,000 - 130,000; Full time

Benefits offered by this job

Profit-sharing

Shareholding plan with matching

Health and provident insurance

Holidays (RTT) and personal days

Public transport support

Job summary

Pierre Fabre Pharmaceuticals, Inc. in Toulouse (Oncopole) seeks a Senior AI Scientist- Molecular Discovery to design, build, and maintain AI workflows that accelerate drug discovery and identify high quality candidates.

You will integrate diffusion models and graph neural networks with physics-based simulations, automate protocols in Python, and collaborate with medicinal chemistry and data science teams. The role offers hybrid work up to two days weekly and a competitive benefits package.

Qualifications

• PhD in CS/AI/Cheminformatics with strong molecular ML background.
• Proven track record applying ML to molecular systems or drug design.
• Experience building automated discovery workflows and collaborating with chemistry teams.

Responsibilities

• AI-Driven Discovery Architecture: design automated pipelines combining AI and physics-based simulations.
• AI-Physics Integration: develop workflows for predictive modeling of biomolecular interactions.
• AI-Driven Conformational Sampling: use DL to accelerate conformational exploration.
• Protocol Automation: create production-grade Python tools for reproducibility.
• Cross-Functional Support: bridge medicinal chemistry and data science.

Skills

Deep learning

Diffusion models

GNNs

Attention models

Molecular ML

Education

PhD in Computer Science / AI / Cheminformatics

Tools

Python

PyTorch

RDKit

NumPy

SciPy

Git

Unix/Linux

HPC

Job description

Pierre Fabre Pharmaceuticals, Inc. in Toulouse (Oncopole) seeks a Senior AI Scientist- Molecular Discovery to design, build, and maintain AI workflows that accelerate drug discovery and identify high quality candidates.

You will integrate diffusion models and graph neural networks with physics-based simulations, automate protocols in Python, and collaborate with medicinal chemistry and data science teams. The role offers hybrid work up to two days weekly and a competitive benefits package.