XtalPi Inc.
Linkedin · Posted 3mo ago
Senior AIDD Scientist
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Indexed description
Responsibilities:
- Build large-scale chemical datasets and foundation models for drug discovery.
- Develop molecular generation models and property prediction models (e.g., bioactivity, drug-likeness), leveraging chemical datasets and public data identified with LLMs like GPT.
- Explore applications of AI in science; develop breakthrough solutions tailored to real-world drug discovery needs.
Requirements:
- 5+ years of experience in machine learning algorithm development; Master's degree or above in AIDD, CADD, Computer Science, cheminformatics, or related fields.
- Experience in AI-driven drug discovery projects, including molecular generation, AI bioactivity prediction, and drug-likeness prediction.
- Proficiency in common ML algorithms such as XGBoost, Graph Neural Networks, and Transformers.
- Proficient in deep learning frameworks including PyTorch and TensorFlow.
- Skilled in Python with strong OOP fundamentals.
- Previous experience in end-to-end ML algorithm deployment is a plus; experience with search or recommendation systems is also preferred.
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