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1. matminer matminer Public

   Data mining for materials science

   HTML 628 219

2. atomate atomate Public

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

   Python 265 176

3. automatminer automatminer Public archive

   An automatic engine for predicting materials properties.

   Python 177 52

4. robocrystallographer robocrystallographer Public

   Automatic generation of crystal structure descriptions.

   Python 143 36

5. rocketsled rocketsled Public

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

   Python 52 12

6. amset amset Public

   Electronic transport properties from first-principles calculations

   Python 165 61