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Senior Machine Learning Scientist

• Company: itworks.asia's Client (Product Company)
• YoE: 5+
• English: Intermediate
• Working Type: Onsite
• Working Location: Tran Hung Dao Ward, Ha Noi
• Working hours: Mon-Fri
• Social Insurance: Yes (full salary)
• Domain: Biologics
• Salary: Negotiable

Job overview and responsibility

- Design and maintain end‑to‑end data pipelines to ingest, clean, augment, and version large‑scale molecular and phenotypic datasets.

- Automate high‑throughput docking simulations; extract, featurize, and curate docking poses and affinity scores for downstream modeling.

- Research, prototype, and productionize graph neural network and transformer‑based models for molecular property prediction, lead optimization, and virtual screening.

- Develop and integrate semi‑supervised learning and active‑learning workflows to maximize insight from limited experimental labels.

- Establish evaluation frameworks and benchmarks; analyze performance metrics (e.g., ROC‑AUC, enrichment factors) and iterate on model architectures to improve accuracy and robustness.

- Collaborate closely with chemists, biologists, and software engineers to integrate ML solutions into NYB’s discovery platform, ensuring reproducibility, scalability (distributed/GPU training), and maintainable codebases.

- Communicate results and methodologies in team meetings, internal reports, and through external publications or conference presentations.

Required skills and experiences

- Education & Research:

• PhD or equivalent postdoctoral experience in Computer Science, Computational Biology, Bioinformatics, or a related discipline, with a strong publication record.

- Technical Expertise:

• At least 5+ Years of Experience in AI/ML
• Proficient in Python and ML frameworks (PyTorch, TensorFlow, or JAX); experience with graph libraries (DGL or PyG) and transformer toolkits (Hugging Face).
• Hands‑on with RDKit (cheminformatics) and molecular docking software (e.g., AutoDock Vina, Glide).
• Familiarity with semi‑supervised techniques (consistency regularization, pseudo‑labeling) and self‑attention architectures.

- Infrastructure & Scale: Experience with cloud platforms (AWS/GCP), containerization (Docker/Kubernetes), and distributed training across multi‑GPU clusters.

- Analytical Foundations: Strong background in statistics, optimization, and experimental design; ability to translate biological questions into ML problems.

- Collaboration & Communication: Excellent written and verbal skills; proven ability to work cross‑functionally in fast‑paced environments.

Preferred skills and experiences

- Contributions to open source ML tools; experience in generative molecular modeling; leadership or mentoring of junior researchers.

- Experience working with genomics or omics projects/data (e.g., RNA-seq, WGS, single-cell), including familiarity with common genomics tools and libraries (Bioconductor, scikit-allel, or similar).

Why Candidate should apply this position

- Competitive salary

- Workplace: This role is based in our Hanoi office, located in the vibrant Old Quarter.

- Build a professional network through collaborations with pharmaceutical companies, industry leaders, and academic experts.

- Work on impactful projects that address critical challenges in drug discovery and healthcare.

- We provide a dynamic, fast-paced, and collaborative environment where problem-solving and agility are at the heart of what we do. Along with a competitive salary, we foster a culture that values ambition, confidence, and humility, consistently pushing the boundaries of innovation. If you're excited about working in a young, talented tech company and want to explore the world of AI and pharmaceuticals, we encourage you to apply.

Report to

CTO (in VietNam) and Professors, Experts (in Singapore)

Interview process

3 round: Initial Round, Technical Round, Final Round

Why Candidate should apply this position

- Competitive salary

- Workplace: This role is based in our Hanoi office, located in the vibrant Old Quarter.

- Build a professional network through collaborations with pharmaceutical companies, industry leaders, and academic experts.

- Work on impactful projects that address critical challenges in drug discovery and healthcare.

• - We provide a dynamic, fast-paced, and collaborative environment where problem-solving and agility are at the heart of what we do. Along with a competitive salary, we foster a culture that values ambition, confidence, and humility, consistently pushing the boundaries of innovation. If you're excited about working in a young, talented tech company and want to explore the world of AI and pharmaceuticals, we encourage you to apply.