Scientist II/Senior Scientist, Computational Chemistry, Drug Discovery
Cambridge, MA USA; London, UK; San Francisco, CA USA
USD 140K-217K Senior-level Full Time
Tasks
- Advise compound prioritization tradeoffs across programs
- Apply protein ligand binding modeling for hypothesis generation design and prioritization
- Build adapt or guide open source workflows for docking virtual screening SAR and property modeling
- Define computational chemistry tools and workflow inputs outputs and interpretation
- Establish validation standards review protocols and guardrails
- Evaluate agent generated drug discovery plans for chemical coherence
- Evaluate molecular design ideas and identify weak unsupported chemistry
- Lead computational chemistry strategy for live drug discovery programs
- Monitor and review computational chemistry workflows for scientific validity
- Partner with medicinal chemists and biologists to improve AI discovery loops
- Translate computational chemistry judgment into tool workflow benchmark and decision requirements
Perks/Benefits
- Commuter benefits
- Company Subsidized Lunch Program
- Educational assistance
- Employer paid life and disability insurance
- Flexible time off
- Medical/Dental/Vision insurance
- Paid parental leave
Skills/Tech-stack
ADMET | Biopython | Cheminformatics | Computational Chemistry | Conformer generation | Docking | FEP | Ligand binding | MDAnalysis | MMGBSA | Molecular Design | Molecular Dynamics | Molecular property prediction | Molecular simulation | Open Source | Open Source Software | OpenMM | Pharmacophore modeling | Property Prediction | Protein Ligand | Protein-ligand binding | Python | QSAR | RDKit | SAR modeling | Virtual Screening
Education
Regions
Countries
States
Related jobs
-
Advanced Data Science | Business Intelligence | Data Analysis | Data Modeling | Data ScienceSenior-level Contract TemporaryMountain View, CA, USA2h ago
-
Operations Data Scientist – Strategic Operations USD 180K-270KCloud Data | Cloud Data Platforms | Data Engineering | Data Warehousing | Data platformsDental insurance | Medical insurance | Paid time off | Vision insuranceSenior-level Full TimeSouth San Francisco, California, USA11h ago
-
Growth Data Scientist — Measurement Lead USD 100K-250KAttribution Modeling | Experiment design | Geo-experimentation | Incrementality testing | Lifetime ValueSenior-level Full TimeMountain View, California, United States13h ago
-
Applied Scientist, Fauna USD 172K-223KAlgorithms and Data Structures | C plus plus | Data Mining | Data Pipelines | Data Structures401k matching | Employee assistance program | Flexible spending accounts | Health insurance | Medical, dental, and vision coverageMid-level Full TimeNew York, New York, USA14h ago
-
Data Scientist USD 250K-350KData Enrichment | Data Pipelines | Data leakage | Data leakage detection | Entity ScoringCareer acceleration | Direct exposure to founders and executives | High autonomy | Work onsite in New York CityMid-level Full TimeNew York, New York, United States14h ago
-
Staff Scientist, Bioinformatics/RWD USD 158K-197KBioinformatics | CNV analysis | Claims data | Copy number variation | Data Curation401k company match | Company holidays | Dental benefits | Health benefits | Paid time offSenior-level Full TimeUS Remote R14h ago
-
Analytical Scientist USD 135K-155K2D LCMS | Analytical Chemistry | Bioanalytical methods | Biochemistry | Chromatography401k matching | Equity | Health benefits | Onsite workMid-level Full TimeEmeryville, California, United States15h ago
-
Senior Biological Data Scientist USD 155K-205KAgentic AI | Genetics | Language Models | Large Language Models | Multiomics401k with employer match | Career development resources | Coaching | Dental insurance | Flexible PTOSenior-level Full TimeRemote - USA R16h ago
-
Senior Data Scientist (Active Secret Clearance) USD 185K-230KAWS | Algorithms | Azure | CI/CD | Cloud Computing401k plan | Accident insurance | Dental insurance | FSA | HSASenior-level Full TimeAustin, Texas, United States16h ago
-
Staff Data Scientist, Ads Delivery USD 164K-339KA/B | A/B Testing | Apache Spark | B testing | Causal EffectsSenior-level Full TimeSan Francisco, CA, US; Remote, US R16h ago
-
Data Scientist / AI Engineer USD 90K-100KAWS | BigQuery | CI/CD | CSS | Docker401k matching | Dental insurance | Health insurance | Life insurance | Mental health resourcesMid-level Full TimeHuntsville, AL17h ago
-
Senior Data Scientist, Applied ML USD 154K-200KAWS | Airflow | Apache Spark | DVC | Data Transformation401k employer contribution | Employer-paid life insurance | Flexible Remote Friendly Work Options | Generous paid holidays | Health Savings Account employer contributionSenior-level Full TimeAustin, Texas | Remote R18h ago
-
A/B | A/B Testing | Anomaly Detection | B testing | Data ModelingCareer growth to technical leadership | Inclusive work environment | Learning and growthSenior-level Full TimeHybrid - San Francisco, CA R19h ago
-
Data Scientist Junior USD 70K-110KAutomation | Data Cleansing | Data Quality | Data Visualization | PythonEntry-level Full TimeWashington, DC21h ago
-
Senior Applied Scientist USD 119K-304KData Pipelines | Experiment design | Fine Tuning | Inference | Language ModelSenior-level Full TimeUnited States, Washington, Redmond21h ago
-
Strategic Process Excellence Data Scientist USD 79K-112KAnomaly Detection | Cause analysis | Data Analysis | Data Automation | Data VisualizationMid-level Full TimeGrove City, PA, United States22h ago
-
Scientist II/Senior Scientist, Computational Biophysics USD 140K-217KABFE | Absolute Binding Free Energy | Binding free energy | Distributed Scientific Computing | EquilibrationCommuter benefits | Disability insurance | Educational assistance | Life insurance | Medical/Dental/VisionSenior-level Full TimeCambridge, MA USA; London, UK; San …1d ago
-
Active Learning | Cofolding | Contrastive Learning | Deep learning | Diffusion ModelsCommuter benefits | Company holidays | Educational assistance | Employer paid life and disability insurance | Flexible time offMid-level Full TimeCambridge, MA USA; London, UK; San …1d ago
-
A/B | A/B Testing | Apache Hive | Apache Spark | B testingEntry-level InternshipSeattle, Washington, United States1d ago
-
(General Hire) Machine Learning Scientist Graduate (TikTok Recommendation) - 2027 Start (PhD) USD 119K-177KAlgorithms | C plus plus | C# | Data Structures | Deep learningEntry-level Full TimeSan Jose, California, United States1d ago
-
Data Scientist, Global E-commerce USD 100K-198KA/B | A/B Testing | B testing | Data Mining | Data VisualizationMid-level Full TimeSeattle, Washington, United States1d ago
-
Research Data Scientist, Ads Metrics, Ads Experiences USD 147K-210KData Analysis | Data Modeling | Machine Learning | Python | RMid-level Full TimeMountain View, CA, USA1d ago
-
Research Data Scientist, Ads Metrics, Core Metrics USD 147K-210KData Modeling | Experiment design | Machine Learning | Python | RMid-level Full TimeNew York, NY, USA1d ago
-
Staff Data Scientist - Fraud & Risk USD 180K-210KConvolutional Neural Networks | Data Pipelines | Deep learning | Feature Engineering | Graph Neural NetworksSenior-level Full TimeHybrid - San Francisco, CA R1d ago
-
SkillBridge – US 2026 Active Duty US Military ONLY USD 110K-176KApplication development | Data Visualization | Databases | Databricks | Machine LearningRemote workEntry-level Full TimeAtlanta, GA - Remote R1d ago