matk86 - Overview

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1. Python 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 …

   Python 1.9k 952

2. Solvation model for the plane wave DFT code VASP.

   Fortran 177 86

3. Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

   Python 76 48

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

   Python 264 176

5. Go + MaterialsProject

   Go 1

6. The Fireworks Workflow Management Repo.

   Python 423 192