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janosh (Janosh Riebesell) · GitHub
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Janosh Riebesell janosh
Working on computational chemistry with pre-trained ML force fields
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GitHub
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09:42
(UTC -04:00) - https://janosh.dev
- in/janosh-riebesell
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matbench-discovery
matbench-discovery PublicAn evaluation framework for machine learning models simulating high-throughput materials discovery.
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awesome-normalizing-flows
awesome-normalizing-flows PublicAwesome resources on normalizing flows.
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materialsproject/pymatgen
materialsproject/pymatgen PublicPython Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …
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