Job Description:

We are looking for a highly motivated computational scientist with a deep understanding of chemistry, cheminformatics, and structural biology to develop new AI models for ligand discovery. You will be working on a large collaborative project to build up A*STAR computational drug discovery capabilities. The candidate is expected to be familiar with the latest generative models. Familiarity with molecular dynamics simulations and docking software is a plus.

Key Responsibilities:

• Develop and implement AI-driven models for ligand discovery, with a focus on generative models.
• Collaborate closely with multidisciplinary teams to integrate computational methods with experimental research.
• Contribute to advancing A*STAR computational drug discovery capabilities, applying cutting-edge techniques in molecular modeling, machine learning, and data science.
• Stay abreast of the latest developments in AI and molecular modelling.
• Communicate research findings effectively, both in written and oral formats, to diverse audiences including scientific teams and stakeholders.

Job Requirements:

• Master or PhD degree in life sciences, chemistry, computational biology, biomedical engineering, or a related discipline.
• Passion for science and research.
• Highly motivated.
• Proficiency in the use of machine learning frameworks (e.g. PyTorch, TensorFlow).
• Experienced in developing generative models.
• Strong knowledge of chemistry, cheminformatics, and structural biology.
• Experience in performing molecular dynamics simulations and docking is advantageous.
• Able to work independently and as part of a team.
• Excellent written and oral communication skills.