CADD, Application Scientist

Achira

CADD/Application Scientist at Achira developing physics-grounded models for drug discovery. Partnering with pharma and biotech to optimize drug design and molecular simulation.

Posted 6/29/2026full-timeNew York City • New York • 🇺🇸 United StatesMid-LevelSenior💰 $164,638 - $259,000 per yearWebsite

Core Competencies

Role fit

Core Competencies

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Demonstrates expertise in CADD, structure-based drug design, and computational chemistry, with a strong focus on protein-ligand interactions and collaboration with external partners in the pharmaceutical and biotech industries.

Highest-signal resume keywords

CADDStructure-Based Drug DesignComputational ChemistryProtein-Ligand BindingExternal Collaboration

ATS Keywords

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Applicant Tracking System Keywords

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Hard Skills

Medicinal ChemistryData Strategy DevelopmentModel InterpretationAssay Artifacts AnalysisLigand Pose Evaluation

Soft Skills

Expert JudgmentCollaborationCommunication

Industry Keywords

PharmaBiotechDiscovery PartnersLigand StrainProtonation States

About the role

Key responsibilities & impact

Shape training data strategy for our models
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
Shape partner programs with BD and leadership.

Requirements

What you’ll need

Significant experience in CADD, structure-based drug design, computational chemistry, medicinal chemistry
Experience supporting or leading external collaborations with pharma, biotech, or discovery partners
Strong intuition for protein-ligand binding, ligand poses, assay artifacts, protonation / tautomer states, waters, cofactors, ligand strain
Comfortable making expert judgments from imperfect data
Excited to work closely with ML researchers, simulation scientists, and platform teams.

Benefits

Comp & perks

Offers Equity
Offers Bonus