職責描述：
1、Design execute computational experiments using AI/ML models fde novo small molecule generation property prediction.
2、Apply advanced computational chemistry techniques, including Molecular Dynamics (MD), Free Energy Perturbation (FEP+), Density Functional Theory (DFT), to refine validate generated molecules.
3、Integrate apply specialized AIDD tools, such as DiffSDBB DiffDock, fefficient hit identification lead optimization.
4、Develop maintain robust, scalable machine learning pipelines using modern deep learning frameworks.
5、Collaborate closely with medicinal chemists biologists to translate computational insights experimental strategies.
任職要求：
1、Education: Ph.D. in Computational Chemistry, Cheminformatics, Computer Science, a related field, 3-5 years of relevant industry experience.
2、Computational Chemistry: Deep, hands-on proficiency in MD, FEP+, DFT simulations fsmall molecule systems.
3、Machine Learning: Expert-level proficiency in PyTorch a similar deep learning framework.
4、Generative Models: Strong theoretical practical knowledge of modern generative models, including Transformer, Diffusion, Reinforcement Learning (RL) training frameworks, specifically applied to molecular generation.
5、AIDD Tools: Proven, hands-on experience with small molecule AIDD tools such as DiffSDBB, DiffDock, similar state-of-the-art platforms.
