Pinned

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. schnetpack schnetpack Public

   Forked from atomistic-machine-learning/schnetpack

   SchNetPack - Deep Neural Networks for Atomistic Systems

   Python

3. megnet megnet Public

   Forked from materialsvirtuallab/megnet

   Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

   Jupyter Notebook 1

4. Ewald Ewald Public

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

   Python

5. Webpage_update_alert Webpage_update_alert Public

   A quick and dirty method to get an alert if a given website has updated.

   Python

6. 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