Role Overview
We are seeking an accomplished Senior Researcher and Project Head to lead our AI-Driven Drug Discovery initiatives, including our flagship MoleculeGEN platform. This role sits at the intersection of computational chemistry, medicinal chemistry, and advanced AI, with end-to-end ownership of projects spanning de novo molecular design, lead optimization, and ADMET prediction
.
The ideal candidate is a scientist-leader with deep technical credibility, strong project leadership skills, and a passion for building scalable AI platforms that fundamentally transform pharmaceutical R&D.
Key Responsibilities
Scientific & Technical Leadership
- Lead the design, development, and scientific direction of MoleculeGEN, an AI platform for de novo drug design, lead optimization, and ADMET prediction.
- Drive AI-first drug discovery pipelines, from hit generation to lead optimization.
- Oversee and integrate computational chemistry, medicinal chemistry, and machine learning workflows.
- Ensure scientific rigor, reproducibility, and interpretability of AI models
Research & Innovation
- Apply and advance molecular modeling and simulation techniques, including: Molecular dynamics simulations, Molecular docking and virtual screeningl, QSAR and predictive modeling.
- Design and implement deep learning architectures for molecular generation, property prediction, and optimiztion.
- Stay at the forefront of emerging methods in AI-driven drug discovery and translate them into production-ready systems.
- Publish high-impact research and contribute to patents, whitepapers, and thought leadership.
Project & Team Management
- Lead and mentor multidisciplinary teams of AI scientists, computational chemists, and medicinal chemists
- Define project roadmaps, milestones, and success metrics across multiple discovery programs
- Ensure timely delivery of research outcomes aligned with business and scientific objectives.
- Collaborate closely with leadership, product, and external research partners.
Strategic Contribution
- Shape long-term strategy for AI-driven discovery platforms
- Evaluate new therapeutic targets, datasets, and modeling approaches.
- Support collaborations with academic institutions, CROs, and pharma partners.
Required Qualifications
- PhD in Computational Chemistry, Molecular Sciences, Medicinal Chemistry, or a closely related discipline.
- Degree from a top-tier institution, supported by a strong undergraduate academic record
- 10+ years of hands-on experience in pharmaceutical or biotech drug discovery
- Proven experience leading drug discovery programs from hit identification through lead optimization
- Deep expertise in:Molecular dynamics and docking
- QSAR and predictive modeling
- Deep learning and generative models for molecules
- Medicinal and molecular chemistry principles
- Demonstrated ability to manage and inspire senior scientific teams
- Strong publication record in peer-reviews journals
Preferred / Nice-to-Have
- Experience building end-to-end AI platforms rather than standalone modelsExposure to ADMET modeling and multi-objective optimization
- Prior collaboration with pharma, biotech startups, or translational research groups
- Patent filings or experience in technology commercialization
- Familiarity with cloud-based ML pipelines and scalable compute environments
What Were Looking For
- A scientist-builder who enjoys creating platforms, not just run
- ning experimentsA leader with deep domain intuition and strong exec
- ution disciplineSomeone excited about reshaping the future of pharmaceutical
- R&D using AIHigh ownership mindset with the ability to operate independently at a senior
level
Why Join Us
- Opportunity to lead a flagship AI drug discovery platform
- High scientific autonomy and strategic influence
- Work at the cutting edge of AI + chemistry + biology
- Collaborate with top-tier researchersand technologists
