ab5424

ab5424

ab5424.github.io

agility

Repository for the Atomistic Grain Boundary and Interface Utility.

atomate

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

atomate2

atomate2 is a library of computational materials science workflows

AtomicContributions

Vizualisation of Atomic Contributions to Phonon Modes

CCS

Curvature Constrained Splines

custodian

A simple, robust and flexible just-in-time job management framework in Python.

Polypy

polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

ab5424/agility

Repository for the Atomistic Grain Boundary and Interface Utility.

ab5424/ab5424

ab5424/ab5424.github.io

ab5424/atomate

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

ab5424/atomate2

atomate2 is a library of computational materials science workflows

ab5424/AtomicContributions

Vizualisation of Atomic Contributions to Phonon Modes

ab5424/CCS

Curvature Constrained Splines

ab5424/custodian

A simple, robust and flexible just-in-time job management framework in Python.

ab5424/Polypy

polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories

ab5424/pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

ab5424/pymatgen-analysis-diffusion

This add-on to pymatgen provides tools for analyzing diffusion in materials.