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1. matminer matminer Public

   Data mining for materials science

   HTML 466 191

2. atomate atomate Public

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

   Python 241 173

3. automatminer automatminer Public

   An automatic engine for predicting materials properties.

   Python 136 50

4. robocrystallographer robocrystallographer Public

   Automatic generation of crystal structure descriptions.

   Python 98 27

5. rocketsled rocketsled Public

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

   Python 43 11

6. amset amset Public

   Electronic transport properties from first-principles calculations

   Python 132 45