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by christofgehrig - opened
README.md
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We
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Our current focus is geometric machine learning for quantum chemistry. We build
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symmetry-aware methods for predicting electronic structure and learning density
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functionals, with the goal of accelerating quantum-mechanical simulations and
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enabling the exploration of chemical space.
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Our research also builds on longstanding expertise in image analysis, graph
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partitioning, representation learning, and scientific machine learning.
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[Website](https://sciai-lab.org/) ·
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[Projects](https://sciai-lab.org/projects/) ·
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We are the Hamprecht Lab at IWR, Heidelberg University. We develop principled
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machine-learning methods for spatially structured scientific problems, with a
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current focus on geometric machine learning for quantum chemistry. Our expertise
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also spans image analysis, graph partitioning, and representation learning.
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[Website](https://sciai-lab.org/) ·
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[Projects](https://sciai-lab.org/projects/) ·
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