Quotient-space diffusion models generate correct symmetric distributions by removing redundancy on the quotient space, simplifying learning and improving results on small molecules and proteins under SE(3) symmetry.
Machine Learning: Science and Technology , volume=
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Lang2MLIP is an LLM multi-agent framework that automates end-to-end development of machine learning interatomic potentials from natural language input for heterogeneous materials systems.
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Quotient-Space Diffusion Models
Quotient-space diffusion models generate correct symmetric distributions by removing redundancy on the quotient space, simplifying learning and improving results on small molecules and proteins under SE(3) symmetry.
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Lang2MLIP: End-to-End Language-to-Machine Learning Interatomic Potential Development with Autonomous Agentic Workflows
Lang2MLIP is an LLM multi-agent framework that automates end-to-end development of machine learning interatomic potentials from natural language input for heterogeneous materials systems.