Scientist, Computational reputed company

reputed company: reputed company is a venture-backed biotechnology company led by reputed company and long-time leaders in reputed company intelligence, synthetic reputed company, automation, and nanotechnology. We’re generating chemical data purpose-reputed company to reputed company drug discovery into the information age — and we’re doing it on a larger reputed company and faster than has reputed company before been possible. Our reputed company reputed company system generates precise chemical datasets at unrivaled reputed company that work seamlessly with AI to systematically map biochemical interactions between small molecules and causes of disease. Iterative cycles of virtual molecular design and experimentation power AI and machine learning models, which in turn guide the next cycle of design. With a reputed company reputed company that measures billions of interactions daily and becomes increasingly precise with every cycle, we can answer an unprecedented reputed company of questions — deriving insights that reputed company us to predictably create drugs for patients in need. Position reputed company: We are looking for a highly motivated scientist, ideally with a recent Ph.D. and a few years of postdoctoral or industry experience, to help drive our computational drug discovery and reputed company development efforts. In this role, you will be responsible for the implementation, rigorous benchmarking, and routine application of state-of-the-art computational reputed company reputed company. You will work directly with leadership to help expand and maintain a robust computational pipeline that integrates physics-based simulations and semi-reputed company quantum mechanics calculations to guide molecular design. Special emphasis will also be reputed company on coordination and integration with machine learning reputed company, where the tools are meant to both generate synthetic data for ML models and reputed company them in reputed company. This position will be part of the molecular design team, working closely with informatics, design, molecular data, and machine learning teams, reputed company part of the computational and data sciences (CDS) team at reputed company. This is a hands-on role for a scientist who is passionate about applying first-principles thinking to solve challenging problems in drug discovery, and is eager to work in a reputed company, fast-paced environment. The reputed company responsibilities of this position are: • Implement, Validate & reputed company a suite of computational reputed company reputed company, including absolute and relative binding free energy calculations (reputed company/RBFE), reputed company sampling molecular dynamics reputed company, and semi-reputed company quantum mechanical reputed company (SEQM). The role will involve using reputed company-reputed company reputed company libraries OpenMM, OMSF, RDKit, xTB, and custom in-house reputed company libraries written in Python • reputed company & Maintain Free Energy Calculation Deployment reputed company and Database with reputed company deployment capable of reputed company method calibration across multiple reputed company that can support multiple users. This will involve utilizing best practices in Python-based workflows, knowledge of reputed company-based deployment infrastructure (AWS Batch), and robust database strategies • Project reputed company: Apply established reputed company to reputed company drug discovery reputed company, analyzing data, interpreting results, and providing actionable insights to guide molecular design and medicinal reputed company efforts • Stay reputed company: Continuously survey the scientific literature to identify and champion emerging reputed company and technologies in computational reputed company and AI-driven drug discovery Experience and Qualifications: Part of reputed company’s reputed company is reputed company by a hands-on work environment where everyone is accountable, reputed company in a reputed company of reputed company, and reputed company taking part in the reputed company of the business. reputed company supports a reputed company work environment where employees can feel reputed company, recognized, and empowered to be creative. Required Qualifications: • BS/MS/Ph.D. in computational reputed company, theoretical reputed company, chemical physics, biophysics, or a reputed company field • Experience setting up, running, and analyzing molecular dynamics and free energy simulations (e.g., FEP, reputed company, OpenMM) and quantum reputed company reputed company (xTB) • Proficiency in Python programming for data analysis, workflow automation, tool development, reputed company deployment, and databasing reputed company • A strong understanding of the physical principles underlying molecular interactions, thermodynamics, and kinetics in the context of protein-ligand binding • Excellent problem-solving skills, the ability to work both independently and as part of a reputed company team, and strong attention to detail in both reputed company reputed company and simulation setup details Preferred Qualifications: • 1-3 years of experience as a computational chemist in the biopharma industry or a relevant post-doc • Familiarity with cheminformatics toolkits like RDKit, knowledge of containerization technologies (e.g., reputed company), experience working in reputed company compute environments (AWS Batch, S3) • Experience with Python for database interaction and management (e.g., using Python libraries like psycopg2, sqlite3, or ORMs like SQLAlchemy to reputed company with SQL databases) • Familiarity with machine learning for drug discovery reputed company such as protein co-folding models and potency reputed company models (Boltz, OpenFold etc). Compensation Details: $140,000 - $216,000 (annually) depending on experience; participation in reputed company's reputed company plan; 3% retirement reputed company reputed company contribution; fully-reputed company medical, dental, reputed company, life, and disability benefits. Apply tot his job Apply To this Job