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    37 repositories

    • MatSimPy

      Public
      Materials Science Tools for Python
      Python
      •
      MIT License
      •0•3•0•0•Updated Nov 12, 2024Nov 12, 2024

    • radnet

      Public
      Python
      •0•1•0•0•Updated Aug 21, 2024Aug 21, 2024

    • SubWorld_DP

      Public
      Python
      •1•0•0•0•Updated Jun 17, 2024Jun 17, 2024

    • vasp_docker

      Public
      Working docker / instructions for VASP
      Dockerfile
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Jan 22, 2024Jan 22, 2024

    • tutorials

      Public
      Introductory tutorials and examples of NN
      Jupyter Notebook
      •0•1•1•0•Updated Jan 5, 2024Jan 5, 2024

    • Growth_Pipeline

      Public
      Python
      •0•1•0•0•Updated Sep 13, 2023Sep 13, 2023

    • dnns

      Public
      General purpose repo for training deep neural networks. Going to include data loading, model creation, and distributed data parallelism supported by pytorch.
      Python
      •
      GNU General Public License v3.0
      •0•2•0•0•Updated May 29, 2023May 29, 2023

    • run_template

      Public
      Python
      •0•0•0•0•Updated Apr 27, 2023Apr 27, 2023

    • PickAI

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Feb 1, 2023Feb 1, 2023

    • EGSnrc

      Public
      Fortran
      •
      GNU Affero General Public License v3.0
      •0•0•0•0•Updated Jan 31, 2023Jan 31, 2023

    • heatenginegym

      Public
      A collection of heat engines, based on the OpenAI Gym environment framework for use with reinforcement learning applications.
      machine-learningreinforcement-learningenginephysicsthermodynamics
      Python
      •5•14•0•0•Updated Dec 20, 2021Dec 20, 2021

    • HHG

      Public
      Deep learning and high harmonic generation
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •1•2•0•0•Updated Dec 9, 2021Dec 9, 2021

    • genheas

      Public
      Python codes, scripts, and datasets for High Entropy Alloys
      Python
      •
      Other
      •1•4•0•0•Updated Nov 30, 2021Nov 30, 2021

    • cgcnn

      Public
      Crystal graph convolutional neural networks for predicting material properties.
      Python
      •
      MIT License
      •319•0•0•0•Updated Oct 7, 2021Oct 7, 2021

    • MC-GD-correspondence

      Public
      Code for the paper "Correspondence between neuroevolution and gradient descent" by Stephen Whitelam, Viktor Selin, Sang-Won Park, and Isaac Tamblyn
      Python
      •5•0•0•0•Updated Sep 22, 2021Sep 22, 2021

    • molar

      Public
      Molar is a database management to make it easy to store experiment whether computational or not
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated Jul 14, 2021Jul 14, 2021

    • pytorch-for-atoms-examples

      Public
      Examples to get started applying pytorch to systems on an atomic scale
      Jupyter Notebook
      •1•0•0•0•Updated Jul 5, 2021Jul 5, 2021

    • OpenMAP

      Public
      Automated Material Acceleration Platforms
      Python
      •0•0•1•0•Updated May 3, 2021May 3, 2021

    • SRS2021

      Public
      Unsupervised Hyperspectral Stimulated Raman Microscopy Image Enhancement: De-Noising and Segmentation via One-Shot Deep Learning
      Python
      •
      GNU General Public License v3.0
      •1•4•0•0•Updated May 2, 2021May 2, 2021

    • chemistrygym

      Public
      A chemistry laboratory environment populated with a collection of chemistry experiment sub-environments, based on the OpenAI Gym environment framework for use with reinforcement learning applications.
      Python
      •0•1•29•3•Updated Mar 22, 2021Mar 22, 2021

    • slurm

      Public
      Config files and scripts for SLURM
      Shell
      •1•1•0•0•Updated Mar 4, 2021Mar 4, 2021

    • schnetpack

      Public
      SchNetPack - Deep Neural Networks for Atomistic Systems
      Python
      •
      Other
      •217•0•0•0•Updated Jan 26, 2021Jan 26, 2021

    • ENAS-pytorch

      Public
      PyTorch implementation of "Efficient Neural Architecture Search via Parameters Sharing"
      Python
      •
      Apache License 2.0
      •492•0•0•0•Updated Dec 9, 2020Dec 9, 2020

    • watch_and_learn

      Public
      Code and data for RNN/EDNN method
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•2•0•0•Updated Oct 26, 2020Oct 26, 2020

    • QuantumTransduction

      Public
      Jupyter Notebook
      •1•0•0•0•Updated Oct 7, 2020Oct 7, 2020

    • watch-and-learn

      Public
      Repository to calculate state probabilities using language models extending the work done by Sprague K. et al in "Watch and Learn" https://arxiv.org/abs/2003.02647
      Jupyter Notebook
      •
      Apache License 2.0
      •1•0•0•0•Updated Jun 29, 2020Jun 29, 2020

    • COOL

      Public
      Controlled Online Optimization Learning (COOL): Finding the Ground State of Spin Hamiltonians with Reinforcement Learning (arXiv:2003.00011)
      C
      •
      GNU General Public License v3.0
      •7•0•0•0•Updated Jun 16, 2020Jun 16, 2020

    • RUGAN

      Public
      Python
      •0•1•0•0•Updated Feb 17, 2020Feb 17, 2020

    • ednn

      Public
      Python
      •
      GNU General Public License v3.0
      •1•1•0•0•Updated Jul 9, 2019Jul 9, 2019

    • ode_agent

      Public
      Python
      •1•0•0•0•Updated Jul 5, 2019Jul 5, 2019