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1. httk httk Public

   Forked from httk/httk

   The High-Throughput Toolkit (httk) is a toolkit for preparing and running calculations, analyzing the results, and storing the results and outcome in a global and/or in a personalized database.

   Python

2. CrysViz/crysviz CrysViz/crysviz Public

   Light-weight browser-based crystal structure visualisation and analysis with on-device rendering.

   JavaScript 4 1

3. httk/wyckoffdiff httk/wyckoffdiff Public

   A Generative Diffusion Model for Crystal Symmetry

   Python 29 7

4. Ewald Ewald Public

   A script to obtain most favored configurations at various ionic concentrations of a cathode material.

   Python

5. Hunting-Simulation-Neuro-evolution-neural-network Hunting-Simulation-Neuro-evolution-neural-network Public

   This is a hunting simulation inspired by "Renolds boids" . The idea is to implement a machine learning frame work to teach the predators to hunt its prey; The implementation is focused on Neuro-evo…

   Python 1