Senior Computational Chemist

A doctorate in Computational Chemistry or related field is required in this role.

The person in this role will help pioneer the use of machine-learning/deep-learning in drug discovery. The person in this role will assist in the development of statistical-learning approaches to analyze various chemical data sets to discover new molecules and chemical reactions for use in precision medicine and drug discovery. This position will report directly to the Vice President of Statistical Sciences.

Essential Functions

  • Lead the development and application of machine-learning/deep-learning methodologies for molecular discovery.
  • Utilize machine-learning and statistical approaches to analyze large sets of chemical data.
  • Partner with coworkers on various client projects.
  • Participate in project work related to writing publications of research findings in top-tier scientific journals
  • Assist in developing and implementing research and commercial objectives for the Statistical Sciences Department
  • Ensure compliance with company regulations and internal policies.
  • Other duties as assigned by VP

Required Education and Experience

  • D. in Computational Chemistry or related field with a minimum of 2 years of industry or academic experience.
  • Expertise in structure-based and/or ligand-based drug design (e.g., molecular docking, molecular dynamics, virtual screening, homology modeling, pharmacophore elucidation and QSAR).
  • Familiarity with different types of 2D/3D molecular descriptors (e.g, fingerprints, SMILES, molecular graphs, etc.).
  • Working knowledge of statistics, machine learning, and data analysis.
  • Programming skills with fluency in Python or R, and familiarity with cloud computing environments (e.g. AWS) with experience working with GPUs.
  • Strong communication and presentation skills with the ability to translate and communicate complex results to individuals of diverse backgrounds
  • Team oriented and highly collaborative with strong organizational and communication skills.

 Preferred Education and Experience

  • D. in Computational Chemistry or related field with 2 to 5 years of industry or academic experience.
  • Experience using modern machine learning and deep learning framerworks (TensorFlow, Keras, sklearn, caret, etc.)
  • In-depth understanding of modern machine learning/deep learning algorithms for molecular/drug discovery (e.g., random forest, SVM, deep neural networks).
  • Working knowledge of biology (oncology, immunology, autoimmunity, etc.) and target identification.
  • Up-to-date knowledge of the fast-moving machine-learning/deep-learning literature.

EEO Policy Statement: It is the policy of WuXi NextCODE to provide equal employment opportunity (EEO) to all persons regardless of age, color, national origin, citizenship status, physical or mental disability, race, religion, creed, gender, sex, sexual orientation, gender identity and/or expression, genetic information, marital status, status with regard to public assistance, veteran status, or any other characteristic protected by federal, state or local law. In addition, WuXi NextCODE will provide reasonable accommodations for qualified individuals with disabilities.

More Information


Improving Lives Through Genomics

WuXi NextCODE is a genomic information company using sequence data to improve health for people around the world.

With offices in Shanghai, China, Cambridge, Massachusetts, Reykjavik, Iceland, and Dublin, Ireland, we offer unique and comprehensive capabilities for generating, organizing, mining, sharing and applying genomic data. This platform enables our partners to correlate genome and phenotype data at scale and speed, in population genomics projects, clinical diagnostics and applications, as well as scientific wellness – all with the aim of delivering better health for patients. We are using it to advance our own growing range of sequence-based diagnostics and wellness products in China.

Employee Benefits include:

Medical, Dental, and Vision Insurance

Life / Accidental Death & Dismemberment Insurance

Short and Long Term Disability Insurance

Pet Insurance, Legal Insurance

Flexible Spending Account (FSA)

Generous 401(k) Matching Program

Employee Assistance Plan (EAP)

Commuter Reimbursement Program

Employee Referral Bonus Program

Tuition Reimbursement Program

Cell Phone Usage Reimbursement

Reservable Bicycles