Governed, private, secure data access for ML and analytics
Forward-Deployed Cheminformatician
Location
Europe
Posted
3 days ago
Salary
0
Seniority
Mid Level
Job Description
Forward-Deployed Cheminformatician
Apheris
Role Description We are looking for a Forward-Deployed Cheminformatician to own how binding data is prepared across our co-folding focused networks and initiatives. Binding data is the input that decides whether our co-folding and binding-affinity models perform in real drug programs. It arrives from pharma partners in heterogeneous shapes: - Different assay registries - Different metadata - Different chemical-representation standards - Different choices on qualifiers, replicates, and censoring We need someone who turns this into a repeatable, well-documented preparation pipeline that pharma representatives can run alongside us, and that scales to the public-data corpus we build for our own model training. This is half engineering, half forward-deployed work. You will: - Define the protocol, harden it with validators and scripts, integrate it into the Apheris products, run it with each new partner, and own the equivalent pipeline for the public binding-data corpus. Qualifications - BSc, MSc, PhD or equivalent in cheminformatics, computational chemistry, or a related field - 3+ years preparing biological assay data in a discovery setting - Fluency in Python and RDKit - Hands-on experience curating quantitative binding assay data (KD, Ki, IC50, pIC50) and HTS data - Good engineering code writing skills (version control, tested modular scripts, validators) - Comfortable forward-deployed with pharma medicinal chemists and biologists - Enjoy turning a messy ad-hoc cleaning job into a repeatable protocol Requirements - SMILES normalization, tautomer/ionization/stereochemistry handling, and scaffold extraction are second nature - Understanding of activity cliffs and model training - Ability to sit in a sense-check meeting and pull out what is actually meant by a column label Benefits - Industry-competitive compensation, including early-stage virtual share options - Remote-first work — work where you work best - Wellbeing budget, mental health support, work-from-home budget, co-working stipend, and learning budget - Generous holiday allowance - Office Days at our Berlin HQ or a different European location (3x per year) - A high-calibre, execution-focused team with experience from leading organizations
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