Internship topic: Generative AI and Physics-Based Scoring in De Novo Molecule Design

We are seeking a highly motivated and dynamic intern to join the Computational Chemistry team of Servier R&D in Paris-Saclay. The selected candidate will focus on the AI-driven generation of novel molecules whether De Novo or within the boundaries of a non-enumerated chemical space. He/She will evaluate and compare physics-based methods for predicting binding affinities. This position offers the unique opportunity to work with cutting edge AI technology in an industrial setting and contribute to groundbreaking therapeutic projects at the interface of computer science, chemistry, and biology.

**Key Responsibilities**
- Under the mentorship of your supervisor, perform De Novo generation of virtual molecules complying with a Target Product Profile (activity and ADME properties) and, optionally, constrained by a non-enumerated chemical space built from public and internal building blocks.
- Set up and run molecule generative tools (commercial and public code) using existing data sets. Use existing physics-based scoring functions or implement open-source Python codes to score the newly generated molecules. Coordinate with the HTE platform to select and synthetize the most promising compounds.
- Document progress, provide reports and present outcome in internal meetings.

Description du profil :

Technical Skills and Qualifications
- Understanding of structural chemistry, molecular biology, and chemical informatics is required.
- Experience with machine learning, with a particular focus on deep learning.
- Strong programming skills in Python and familiar with Jupyter notebooks.
- Experience with workflow design tools (e.g., Knime or Pipeline Pilot) would be desirable.
- Ability to work with large datasets and proficiency in data visualization

Your Profile

• You are currently preparing a M2 in Computational Chemistry, Chemistry, Chemoinformatics, Computer Science or related field
• Highly motivated, curious and dynamic 
• Excellent problem-solving skills and attention to details.
• Strong verbal and written communication skills
• Training in computational chemistry
• Ideally, you have a first experience in industry
• Strong interest in pharmaceutical research
• Proficiency with Machine Learning and AI tools.