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Senior/Principal Investigator, Computational Drug Discovery & Applications (China)

Location: Shanghai or Suzhou, China

About TandemAI

TandemAI is a leading AI-native biotechnology company with a commercially validated platform for innovative drug discovery across small molecules, peptides, and antibody-peptide conjugates (APCs). Our mission is to transform how therapeutics are discovered by integrating advanced machine learning approaches, such as world models, and physics-based simulations with our large scale experimental labs.

TandemAI has established partnerships with over 200 pharmaceutical companies and research institutions worldwide, including four of the global top 10 and multiple top-20 multinational pharmaceutical companies. Our robust pipeline comprises more than 50 collaborative and proprietary programs, several of which are advancing through clinical development and we have been featured in the Nature Index Global AI Drug Discovery Innovation Map, recognized on the Forbes Asia 100 to Watch list, and have established strategic R&D alliances with world- class deep learning institutions such as Mila.

About The Role

We are seeking a talented and highly motivated scientist to join our Drug Discovery Applications team, reporting directly to our head of application science. In this role, you will apply cutting-edge computational and AI/ML methods to support both internal drug discovery programs and external collaborations, working closely with cross-functional teams to drive projects from target identification through lead optimization to developmental candidate.

What You Will Do

What You Will Do
  • Apply computational chemistry and AI/ML methods (e.g., generative AI, virtual screening, molecular docking, MD simulations, FEP) to advance both internal and external drug discovery projects.
  • Drive the design and implementation of robust scientific workflows and best practices, leading to publishable case studies.
  • Collaborate proactively with experimental teams (medicinal chemistry, structural biology, biochemistry, biophysics, pharmacology) to design experiments and interpret data, accelerating Design-Make-Test-Analyze (DMTA) cycles.
  • Track emerging scientific trends and contribute ideas for platform evolution.
  • Prepare clear, concise documentation of analyses and effectively communicate findings to diverse audiences in project meetings and external settings.

What We Are Looking For

What We Are Looking For
  • Education: Ph.D. or Master's in Computational Chemistry, Biophysics, Bioinformatics, Structural Biology, Medicinal Chemistry, or related field (Ph.D. preferred).
  • Experience: Ph.D. with 2–6 years (including postdoctoral work) or Master's with 4–8 years in drug discovery or related fields, commensurate with level.
  • Technical Skills:
    1. Familiarity with small-molecule drug discovery workflows and lead optimization challenges.
    2. Hands-on experience in one or more of the following areas: MD simulations, FEP, docking, virtual screening, pharmacophore modeling, QSAR, cheminformatics, SBDD, LBDD, structural modeling, quantum mechanics.
    3. Experience with peptides and other therapeutic modalities is a plus.
  • Core Competencies:
    1. Strong scientific communication and presentation skills;
    2. Team-oriented mindset with ability to work in multidisciplinary environments;
    3. Strong problem-solving skills with keen attention to detail;
    4. Chinese and English proficiency.
  • Preferred Qualifications:
    1. Experience with AI/ML in drug discovery;
    2. Python programming;
    3. Extensive medicinal chemistry background.

Additional Information

We offer opportunities to attend academic/industry conferences and partner meetings.

We offer systematic technical training and clear career development path.

Interested in applying for Senior/Principal Investigator, Computational Drug Discovery & Applications (China)?

Candidates who are interested in the role, please send your resume to susan.shu@tandemai.com
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