Small Molecule Computational Scientist
Boltz PBC is an AI-for-science company building biomolecular models, compute infrastructure, APIs, and collaborative tools for molecular design and drug discovery.
Funding history
About Boltz
Boltz develops frontier AI models for biomolecular structure prediction, binding-affinity estimation, and protein and small-molecule design. Its current offerings include open-source models and the commercial Boltz Lab and Boltz API products.
Skills
Candidate Availability
Required and preferred rules are kept separate and reflect the wording in the original posting.
About the Role
You will build scientific tooling and datasets for small-molecule research, evaluate models, and investigate their failure modes. You will analyze molecular, protein, binding, screening, and property data; support partner programs; and turn computational analyses into research and drug discovery decisions.
Requirements
- PhD or equivalent in computational chemistry, cheminformatics, chemical biology, structural bioinformatics, or a related field
- Python
- Scientific software development
- RDKit
- Small-molecule chemistry
- Protein sequence and structural data analysis
- Protein-ligand complex analysis
- Molecular fingerprinting
- Similarity search
- Clustering
- Scaffold analysis
- Dimensionality reduction
- Experimental binding and screening data analysis
- KD
- Ki
- IC50
- EC50
- Communication
Responsibilities
- Build datasets for training and evaluating small-molecule models
- Evaluate models and investigate failure modes
- Standardize and integrate molecular and experimental data
- Analyze large molecular collections and chemical space
- Develop computational chemistry tooling
- Analyze screening campaigns and model performance
- Support internal research and external drug discovery programs
- Translate analyses into research and drug discovery decisions
Benefits
- Hybrid working
- Equity
- Learning budget
- Wellbeing support
- Generous holiday