Scientist, Computational Chemistry
United Kingdom - Remote
R
GBP 75K-101K (estimate) Senior-level Full Time
Tasks
- Analyze protein ligand structures
- Build ensemble design for structure preparation
- Collaborate with ML and experimental teams
- Communicate technical findings
- Design simulation workflows
- Generate molecular descriptors with cheminformatics
- Perform alchemical transformations
- Run free energy perturbation simulations
- Run molecular dynamics simulations
- Run small molecule docking simulations
- Train machine learning models for molecular property prediction
- Update best practices for binding affinity prediction
- Validate predictive models
Perks/Benefits
- N/A
Skills/Tech-stack
ABFE | ADMET | AWS | Alchemical transformations | Amber | ChemProp | Cheminformatics | Conformational Variability | Ensemble Design | FEP | Free energy | Free energy perturbation | GROMACS | Gradient boosting | HPC | Ligand binding | Linear Regression | MDAnalysis | MDTraj | Machine Learning | Molecular Docking | Molecular Dynamics | Molecular property prediction | Molecule Representation | NAMD | OpenFE | Property Prediction | Protein-ligand binding | PyMOL | Python | RBFE | RDKit | Random Forest | Scikit-learn | Slurm | Structure Selection | Support Vector Machine
Education
Related jobs
-
Senior Data Scientist GBP 80K-95KA/B | A/B Testing | B testing | Data Mining | PythonFlexible working hours | Learning budget | Part-time options | Relocation assistance | Remote work within UKSenior-level Full TimeCardiff, London or Remote (UK) R1d ago
-
Lead Data Scientist GBP 95K-130KAnalytics | Data Modeling | Data Quality | Data Science | ExperimentationFlexible working hours | Learning budget | Relocation support | Visa sponsorshipSenior-level Full TimeCardiff, London or Remote (UK) R1d ago
-
Senior Data Scientist - Athlete Performance GBP 66K-111KBiomechanics | Biometric modeling | CI/CD | Data Drift | Deep learningCareer growth opportunities | Employee assistance program | Employee resource groups | Flexible vacation | Medical benefitsSenior-level Full TimeBarcelona, Spain; London, United Kingdom R1d ago
-
Atom Level Modeling | CDK | ChemProp | Cheminformatics | Computational ChemistryCross time zone collaboration | Equity participation | Flexible work schedule | Remote workMid-level Full TimeUnited Kingdom - Remote R1d ago
-
Senior Data Scientist - Athlete Performance GBP 66K-111KBiomechanical modeling | Biomechanics | Biometric Data | CI/CD | Data DriftEmployee assistance program | Employee resource groups | Flexible vacation time | Medical benefits | Meeting-free daysSenior-level Full TimeBarcelona, Spain; London, United Kingdom R2d ago
-
Langchain | MLOps | Matplotlib | NumPy | PandasPart-time flexible hours | Project based workMid-level FreelanceUnited Kingdom - Remote R4d ago
-
Senior Data Scientist - Fraud GBP 45K-65KAWS Neptune | Anomaly Detection | Apache Spark | Data Wrangling | GitGrowth plan | Gym discounts | Hybrid working | Learning resources | Mental health supportSenior-level Full TimeManchester R5d ago
-
Junior Data Scientist GBP 30K-35KCloud Computing | Data Modeling | Data Visualization | ETL | GitHybrid working | Learning budget | Life insurance | Long service rewards | Parental supportEntry-level Full TimeHybrid (W44PH, London, United Kingdom) R6d ago
-
Senior Data Scientist - Credit Eligibility GBP 76K-100KA/B | A/B Testing | B testing | Classification | Feature EngineeringCoaching partnerships | Family-friendly policies | Flexible working arrangements | Fully remote | Professional development programmesSenior-level Full TimeLondon R6d ago
-
Pricing Data Scientist GBP 45K-65KData Modeling | Geospatial analysis | Machine Learning | Model Monitoring | PythonAnnual bonus | Cashback | Dental insurance | Discounts on insurance products | Employee discountsMid-level Full TimeBristol - The Core, United Kingdom R6d ago
-
Applied AI Data Scientist GBP 60K-75KAzure Machine Learning | Calibration | Classification | Cross-validation | Data DriftBuy and sell holiday | CPD training | Discounted gym memberships | Employee assistance programme | Enhanced maternity payMid-level Full TimeLeeds, England, United Kingdom R7d ago
-
Commercial Data Scientist GBP 60K-75KA/B | A/B Testing | B testing | CRM | Churn Prediction25 days annual leave | Buy and sell holiday | Contributory pension | Cycle to work scheme | Discounted gym membershipsMid-level Full TimeLeeds, England, United Kingdom R7d ago
-
Customer Insight Data Scientist GBP 60K-75KBERT | CRM Integration | Dashboarding | Data Annotation | Data NormalizationAnnual leave | Buy and sell holiday | CPD support | Cycle to work scheme | Discounted gym membershipsMid-level Full TimeLeeds, England, United Kingdom R7d ago
-
C Programming | C plus plus | C programming language | Java | MATLABFlexible schedule | Part-time project-based work | Remote workSenior-level FreelanceUnited Kingdom - Remote R7d ago
-
Senior Data Scientist GBP 55K-65KAlgorithm Development | Data Visualization | Data research | Machine Learning | PythonCycle to work scheme | Employee assistance programme | Employee discounts | Healthcare coverage | Income protectionSenior-level Full TimeHatfield, Hertfordshire, United Kingdom R9d ago
-
PEP Screening and Strategy Lead - Analytics GBP 56K-81KAML | Adverse Media | Adverse media screening | BigQuery | Data WarehousingSenior-level Full TimeUnited Kingdom - Remote R9d ago
-
Senior Applied Scientist (Researcher) – Pricing GBP 45K-55KA/B | A/B Testing | B testing | Causal Inference | Machine LearningFlexible schedule | Paid training courses | Professional counseling services | Remote work | Work equipment providedSenior-level Full TimeUnited Kingdom R9d ago
-
Data Scientist GBP 26K-26KA/B | A/B Testing | B testing | Classification | ClusteringDental insurance allowance | Discounts | Flexible working | Four-day work week | Gym membership allowanceMid-level Full TimeLondon, England, United Kingdom R12d ago
-
Senior-level Full TimeRemote - UK R12d ago
-
Data Scientist - Credit Eligibility GBP 70K-90KA/B | A/B Testing | B testing | Classification | Feature EngineeringCareer growth opportunities | Coaching partnerships | Family-friendly policies | Flexible working arrangements | Fully remoteMid-level Full TimeLondon R14d ago
-
Data Scientist GBP 65K-75KCloud Computing | Cloud platform | Deep learning | Google Cloud | Google Cloud PlatformEmployee assistance program | Employee product discount | Employee social events | Flexible work arrangements | Hybrid work modelSenior-level Full TimeLondon, England, United Kingdom R14d ago
-
Big Data | Feature Engineering | Langchain | MLOps | Machine LearningFlexible schedule | Part-time availability | Project based workMid-level FreelanceUnited Kingdom - Remote R16d ago
-
Data Scientist GBP 50K-65KBig Data | Classification | Clustering | Decision Trees | Experimental DesignRemote workMid-level Full TimeRemote, Remote, United Kingdom R19d ago
-
C# | Computational physics | Electromagnetism | MATLAB | MechanicsFlexible hours | Part-time opportunity | Project based workEntry-level FreelanceUnited Kingdom - Remote R20d ago
-
Senior Data Scientist - Fraud GBP 40K-65KAWS Neptune | Anomaly Detection | Data Modeling | Data Wrangling | GitGrowth plan | Gym discounts | Hybrid working | Learning resources | Mental health supportSenior-level Full TimeLondon R21d ago