Scientist, Ai, Isce2

2 weeks ago

Jurong Island, Singapore A*STAR Agency for Science, Technology and Research Full time

Responsibilities: Working on feature engineering, data augmentation, and hyperparameter optimization to improve the predictive accuracy of AI models
- Implement deep learning models (neural networks, convolutional neural networks, recurrent neural networks, generative AI..etc) for tasks such as molecular property prediction, molecular design, and chemical space exploration.
- Utilize natural language processing (NLP) techniques to analyze scientific literature and extract relevant information
- Collaborate with an interdisciplinary team across chemistry, biology, and data science to develop and implement AI solutions, machine learning models and algorithms
- Analyze data and present research findings at conferences, meetings, and to stakeholders while maintaining accurate records
- Supervise and mentor junior researchers, fostering a collaborative and supportive work environment
- Other duties as assigned by the manager

**Requirements**:

- Ph.D. in chemistry, data science, machine learning, cheminformatics, computational chemistry or a related field.
- Proven experience in developing and deploying machine learning/deep learning models for chemistry or a related field.
- Strong programming skills in Python (required).
- Proficiency with machine learning libraries such as TensorFlow, PyTorch, Scikit-Learn, etc.
- Familiarity with large language models (LLMs) or computational quantum chemistry (e.g. DFT with Q-Chem) is a plus.
- Familiarity with cheminformatics libraries such as RDKit, molecular docking methods, QSAR, chemical space analysis, with a particular focus on natural product chemistry, will be highly regarded.
- Effective communication and ability to work in cross-functional teams.
- Strong time management and organisational skills.
- Adaptable mindset, open to learning new skills, and willing to assist with various other tasks and experiments.

**Type of Employment**: Full-Time
**Minimum Experience**: 3 Years
**Work Location**: Jurong Island

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