CADD/Application Scientist

About the Company

At Achira, you will join a team of scientists, ML researchers, and engineers working together to move beyond the beaten path in drug discovery. We are developing physics-grounded models for molecular simulation that can make the chemical and biological systems behind drug discovery more learnable, predictable, and designable.

Responsibilities

• Shape training data strategy for models by identifying experimental, structural, and synthetic data sources
• Own data and structure curation for high-value protein-ligand systems end-to-end
• Work with model and training teams to interpret model successes and failures
• Help decide which applications are worth pursuing, such as lead optimization and selectivity
• Shape partner programs with BD and leadership to translate model capabilities into collaborations

Requirements

• Significant experience in CADD, structure-based drug design, or computational chemistry
• Experience supporting or leading external collaborations with pharma or biotech partners
• Strong intuition for protein-ligand binding, ligand poses, and assay artifacts
• Ability to make expert judgments from imperfect data
• Comfort working closely with ML researchers and simulation scientists

Preferred Qualifications

• Experience curating and running protein-ligand affinity or FEP benchmarks (e.g., OpenFE)
• Experience across the full discovery arc from target identification to lead optimization
• Experience designing scientific case studies or partner-facing demonstrations
• Familiarity with ML-assisted drug discovery or active learning