QDX is a computational drug discovery company developing a state-of-the-art quantum mechanics-based platform powered by some of the world's largest supercomputers. Through accurate quantum mechanical calculations, we deliver unprecedented receptor-ligand insights, make better structure-activity predictions, and crack challenging targets. We engage in collaborative projects with industry partners, focusing on solving tangible, real-world problems. Our mission is to radically scale the biotechnology industry through high-speed quantum mechanical calculations, supercomputing, and seamless integrated product design.
Join us at QDX as we seek to revolutionise the field of computational drug design.
You will be heavily involved in testing and optimising our molecular modelling pipeline, with the opportunity to see the direct impact of your work on real-world problems. This involves integrating various physics-based/quantum-mechanics simulations with machine learning models. You will also be responsible for writing protocol documentation and tutorials.
Key Responsibilities
- Run benchmark tests on our in-house molecular modelling pipelines
- Stay up-to-date with relevant literature; implement and test new methods where necessary
- Design and refine machine learning models and statistical approaches to support quantitative structure-activity analyses
- Write documentation and tutorials of our molecular modelling pipelines
- Work collaboratively with a multidisciplinary team to ensure alignment across the company
Qualifications
Essential:
- Proficiency in coding (Python preferred)
- Working knowledge of command line interface
- A strong inclination towards automating and refining workflows
- Basic knowledge of protein structure
- Strong interest in computational chemistry and structural biology
- Attention to detail and accuracy
- Ability to work independently and collaboratively
- Excellent communication skills (verbal and written)
Desirable:
- Prior experience with high performance computing clusters and/or cloud computing
- Familiarity with Protein Data Bank (PDB) and experience handling PDB files
- Practical experience with molecular docking, molecular dynamics and/or Monte Carlo simulations
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- Company:
QDX Technologies Pte. Ltd. - Designation:
Computational Chemist Intern - Profession:
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