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3 search results found

Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure

Mpds Ml Labs ⭐ 10

This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical properties from the only crystalline structure (POSCAR or CIF).

Moleculearn ⭐ 5

Extract patterns from ab-initio molecular dynamics simulations using machine learning.

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