Skip to content
@WMD-group

Materials Design Group

Research group in computational chemistry & physics led by @aronwalsh at @ImperialCollegeLondon
README.md

Pinned Loading

  1. SMACT SMACT Public

    Python package to aid materials design and informatics

    Python 94 22

  2. PDynA PDynA Public

    Python package to analyse the structural dynamics of perovskites

    Python 27 2

  3. ElementEmbeddings ElementEmbeddings Public

    Python package to interact with high-dimensional representations of the chemical elements

    Python 30

  4. CarrierCapture.jl CarrierCapture.jl Public

    Julia package to compute trap-assisted electron and hole capture in semiconductors

    Jupyter Notebook 50 22

  5. MacroDensity MacroDensity Public

    Python package to analyse electron density & electrostatic potential grids

    Python 82 44

  6. PyTASER PyTASER Public

    Python package to simulate differential absorption spectra of crystals from first principles

    Python 24 4

Repositories

Showing 10 of 58 repositories
  • SMACT Public

    Python package to aid materials design and informatics

    WMD-group/SMACT’s past year of commit activity
    Python 94 MIT 22 6 0 Updated Aug 20, 2024
  • ElementEmbeddings Public

    Python package to interact with high-dimensional representations of the chemical elements

    WMD-group/ElementEmbeddings’s past year of commit activity
    Python 30 MIT 0 4 0 Updated Aug 19, 2024
  • PDynA Public

    Python package to analyse the structural dynamics of perovskites

    WMD-group/PDynA’s past year of commit activity
    Python 27 MIT 2 1 0 Updated Aug 14, 2024
  • CarrierCapture.jl Public

    Julia package to compute trap-assisted electron and hole capture in semiconductors

    WMD-group/CarrierCapture.jl’s past year of commit activity
    Jupyter Notebook 50 MIT 22 1 0 Updated Aug 10, 2024
  • skipspecies Public Forked from lantunes/skipatom

    Distributed representations of ions, inspired by SkipAtom and Skip-Gram

    WMD-group/skipspecies’s past year of commit activity
    Python 4 MIT 4 0 0 Updated Aug 9, 2024
  • WMD-group.github.io Public

    Group website

    WMD-group/WMD-group.github.io’s past year of commit activity
    Ruby 7 2 0 1 Updated Aug 1, 2024
  • TrapLimitedConversion Public

    Computing solar energy conversion limits using the Trap Limited Conversion (TLC) metric

    WMD-group/TrapLimitedConversion’s past year of commit activity
    Python 5 MIT 2 2 1 Updated Jul 8, 2024
  • CrystalSpace Public

    Dash app to explore crystal chemical space

    WMD-group/CrystalSpace’s past year of commit activity
    Python 4 MIT 0 0 0 Updated Apr 16, 2024
  • PyTASER Public

    Python package to simulate differential absorption spectra of crystals from first principles

    WMD-group/PyTASER’s past year of commit activity
    Python 24 MIT 4 1 0 Updated Feb 20, 2024
  • MacroDensity Public

    Python package to analyse electron density & electrostatic potential grids

    WMD-group/MacroDensity’s past year of commit activity
    Python 82 MIT 44 5 0 Updated Dec 25, 2023
View all repositories

Top languages

Loading…

Most used topics

Loading…