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@hackingmaterials

Hacking Materials Research Group

Pinned repositories

  1. Data mining for materials science

    HTML 235 121

  2. atomate is a powerful software for computational materials science and contains pre-built workflows.

    Python 137 113

  3. An automatic engine for predicting materials properties.

    Python 70 30

  4. Automatic generation of crystal structure descriptions.

    Python 41 8

  5. plug-n-play black box optimizer for high-throughput computing

    Python 25 8

  6. Electronic transport properties from first-principles calculations

    Python 31 16

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