Computational Chemistry/Cheminfomatics Intern

Computational Chemistry/Cheminfomatics Intern - AIDD

We are seeking a Master or PhD candidate in Computational Chemistry, Cheminformatics, Molecular Modeling, Machine Learning, or a related discipline to join our team. The ideal candidate will demonstrate fluency in Python and possess specialized expertise in either Cheminformatics and Representation or Conformational Sampling and Quantum Chemistry.

Responsibilities include:

• Generating, manipulating, and applying chemical representations or conducting automated, high-throughput searches for low-energy conformers.
• Developing Python-based tools and workflows for molecular tasks.
• Testing Machine Learning Potentials and comparing results against Density Functional Theory calculations.
• Contributing to fragment-based molecule generation within protein binding pockets.

Requirements:

• Master or PhD candidate in a relevant scientific field.
• Strong practical experience in computational chemistry or cheminformatics.
• Proficiency in Python and relevant toolkits.
• Good written and verbal communication skills in both Chinese and English.