Data

Tools

Indexes

Applications

Experiments

Open Sustainable Technology

https://github.com/mineralscloud/linearelasticity.jl

Calculate linear elasticity for some crystals
crystallography elasticity julia-package linear-elasticity materials-science mechanical-engineering physics scientific-computing
Added: over 1 year ago - Last Synced: 11 months ago - Created: February 24, 2020

  • Relevant topics? true
  • External users? true
  • Open source license? true
  • Active? true
  • Fork? false
  • Main Language: Julia
  • Commits: 436
  • Committers: 6
  • Issues: 6
  • Pull Requests: 101
https://github.com/materialsproject/reaction-network

Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (Lawrence Berkeley National Lab).
chemistry materials-science python reaction-network reactions simulation
Added: over 1 year ago - Last Synced: 11 months ago - Created: July 12, 2019

  • Relevant topics? true
  • External users? true
  • Open source license? true
  • Active? true
  • Fork? false
  • Main Language: Python
  • Commits: 927
  • Committers: 10
  • Issues: 10
  • Pull Requests: 92
https://github.com/seatonullberg/velvet

[WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility
atomistic-simulation-engine chemistry computational-chemistry materials-science molecular-dynamics physics simulation
Added: over 1 year ago - Last Synced: 11 months ago - Created: July 18, 2020

  • Relevant topics? true
  • External users? true
  • Open source license? true
  • Active? true
  • Fork? false
  • Main Language: Rust
  • Commits: 244
  • Committers: 1
  • Issues: 6
  • Pull Requests: 9
  • Owner: seatonullberg
  • Stars: 10
  • Forks: 2
  • Packages: 5
  • Downloads: 12,714
https://github.com/pycroscopy/atomai

Deep and Machine Learning for Microscopy
deep-kernel-learning deep-learning electron-microscopy ensemble-learning fully-convolutional-networks google-colaboratory imaging jupyter-notebook machine-learning materials materials-science microscopy multivariate-analysis pytorch scanning-probe-microscopy semantic-segmentation variational-autoencoders
Added: over 1 year ago - Last Synced: 11 months ago - Created: September 04, 2020

  • Relevant topics? true
  • External users? true
  • Open source license? true
  • Active? true
  • Fork? false
  • Main Language: Python
  • Commits: 1262
  • Committers: 8
  • Issues: 14
  • Pull Requests: 69
  • Owner: pycroscopy
  • Stars: 181
  • Forks: 37
  • Packages: 2
  • Downloads: 530
https://github.com/aspuru-guzik-group/olympus

Olympus: a benchmarking framework for noisy optimization and experiment planning
chemistry experimental-design machine-learning materials-science optimization
Added: over 1 year ago - Last Synced: 11 months ago - Created: October 09, 2020

  • Relevant topics? true
  • External users? true
  • Open source license? true
  • Active? true
  • Fork? false
  • Main Language: Jupyter Notebook
  • Commits: 148
  • Committers: 10
  • Issues: 28
  • Pull Requests: 7