ML Researcher

We are looking for a ML Researcher to develop new drug design workflows. This role focuses on prototyping algorithms, testing ideas, and building tools that integrate directly into our platforms.

Required qualifications

Scientific background

• Strong understanding of supramolecular chemistry and structural biology.
• Solid knowledge of molecular biophysics and biomolecular recognition. 
• Experience in protein structure modeling and evaluation.

Technical skills

• Strong Python programming skills (functions, classes, data structures) and experience with core analytical Python packages (NumPy, Pandas, etc.)
• Familiarity with PyTorch and GPU-based computing. 
• Experience with Conda environments. 
• Understanding of ML/DL concepts and model evaluation metrics. 
• Experience with Linux and GitHub.
   

Soft skills

• Curiosity, initiative, and motivation to engage in research-driven tasks. 
• Strong communication skills and ability to collaborate effectively.
• Reliability: respects deadlines, meetings, and others’ time.

• Honesty, transparency, and openness to feedback.

   

Preferred qualifications

• Experience with protein structure prediction and/or docking tools (e.g., AlphaFold, HDOCK, HADDOCK).
• Familiarity with chemical file formats (PDB, CIF, MOL2, SDF).
• Experience working on remote machines and/or cloud platforms (e.g., Google Cloud).
• Knowledge of deep learning architectures such as Transformers or GNNs.