Achira

Drug Discovery

CADD/ApplicationScientist

New York, New York, United States FULL TIME
The Brief

“CADD / Application Scientist at Achira. Skills: CADD, Molecular simulation, Drug discovery. Shape training data strategy. Identify data sources”

Industry & Context.

Drug Discovery

What They're Looking For.

Must Have

CADD, Structure-based drug design, Computational chemistry, Medicinal chemistry collaboration, Drug discovery, Supporting external collaborations, Leading external collaborations, Intuition for protein-ligand binding, Intuition for ligand poses, Intuition for assay artifacts, Intuition for protonation / tautomer states, Intuition for waters, Intuition for cofactors, Intuition for ligand strain, Expert judgments from imperfect data, Identify relevant benchmarks, Identify relevant application ideas, Identify relevant partner case studies

Nice to Have

Curating protein-ligand affinity benchmarks, Running protein-ligand affinity benchmarks, Curating FEP benchmarks, Running FEP benchmarks, OpenFE, Full discovery arc experience, Target identification, Hit finding, Hit-to-lead, Lead optimization, Designing scientific case studies, Designing technical reports, Designing partner-facing demonstrations, ML-assisted drug discovery, Active learning, Synthetic data generation, Model evaluation for molecular systems

What You'll Do.

Shape training data strategy

Identify data sources

Own structure curation

Interpret model successes

Interpret model failures

Decide applications to pursue

Shape partner programs

Translate model capabilities

How You'll Work.

Team & Collaboration

Work with model teams; Work with training teams; Work with ML researchers; Work with simulation scientists; Work with platform teams; Collaborate with BD; Collaborate with leadership; Collaborate with pharma teams; Collaborate with biotech teams

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