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https://github.com/janosh/matterviz

Interactive browser visualizations for materials science: periodic tables, 3d crystal structures, MD trajectories, heatmaps, scatter plots, histograms.

https://github.com/janosh/matterviz

Science Score: 26.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ○
    Committers with academic emails
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (14.0%) to scientific vocabulary

Keywords

chemistry d3 data-viz materials-science plotting svelte threejs

Keywords from Contributors

parallel energy-system-model distributed plots
Last synced: 5 months ago · JSON representation

Repository

Interactive browser visualizations for materials science: periodic tables, 3d crystal structures, MD trajectories, heatmaps, scatter plots, histograms.

Basic Info
Statistics
  • Stars: 264
  • Watchers: 5
  • Forks: 19
  • Open Issues: 6
  • Releases: 20
Topics
chemistry d3 data-viz materials-science plotting svelte threejs
Created over 3 years ago · Last pushed 6 months ago
Metadata Files
Readme Changelog Contributing License

readme.md

Logo MatterViz

[![Tests](https://github.com/janosh/matterviz/actions/workflows/test.yml/badge.svg)](https://github.com/janosh/matterviz/actions/workflows/test.yml) [![GH Pages](https://github.com/janosh/matterviz/actions/workflows/gh-pages.yml/badge.svg)](https://github.com/janosh/matterviz/actions/workflows/gh-pages.yml) [![VSCode Extension](https://img.shields.io/badge/Install%20VSCode-Extension-blue?logo=typescript&logoColor=white)](https://marketplace.visualstudio.com/items?itemName=janosh.matterviz) [![Docs](https://img.shields.io/badge/Read-the%20docs-blue?logo=googledocs&logoColor=white)](https://matterviz.janosh.dev) [![Open in StackBlitz](https://img.shields.io/badge/Open%20in-StackBlitz-darkblue?logo=stackblitz&logoColor=white)](https://stackblitz.com/github/janosh/matterviz)

matterviz is a toolkit for building interactive web UIs for materials science: periodic tables, 3d crystal structures (and molecules, though needs some improvements!), Bohr atoms, nuclei, heatmaps, scatter plots. It's under active development and not yet ready for production use but we appreciate any feedback from beta testers! 🙏

🔌   MatterViz VSCode Extension

Visualize crystal structures, molecules, and molecular dynamics trajectories directly in VSCode. Features include:

  • Native support for common file formats (CIF, POSCAR, XYZ, TRAJ, HDF5, etc.)
  • Context menu (right click > "Render with MatterViz") and keyboard shortcuts (ctrl+shift+v on Windows, cmd+shift+v on Mac) for quick access
  • Custom viewer for MD trajectories/geometry optimizations
  • Extensive customization options via VSCode settings - see Configuration Guide for examples

🗺️   Roadmap

Screenshot of landing page

📦   Heatmap

This screenshot demonstrates the periodicity of elemental properties (i.e. why it's called periodic table). In this case, you're seeing recurring bumps and valleys in the first ionization energy as a function of atomic number.

Screenshot of periodic table heatmap

⚛️   3D Structure Viewer

3D Structure Viewer

⚛️   Element Details Pages

The details page for gold.

https://user-images.githubusercontent.com/30958850/186975855-8e0d94f9-e4e3-47a2-9354-9c012b37307c.mp4

🔨   Installation

sh npm install --dev matterviz

📙   Usage

Periodic Table

```svelte

```

Structure

```svelte

```

Composition

```svelte

```

Trajectory

```svelte

```

🧪   Coverage

| Statements | Branches | Lines | | ------------------------------------------------------------------------------------------ | --------------------------------------------------------------------------------- | -------------------------------------------------------------------------------- | | Statements | Branches | Lines |

🙏   Acknowledgements

This project would not have been possible as a one-person side project without many fine open-source projects. 🙏 To name just a few:

| 3D graphics | 2D graphics | Docs | Bundler | Testing | | :-----------------------------: | :--------------------------------------: | :------------------------------------------: | :---------------------------------: | :----------------------------------: | | three.js | d3 | mdsvex | vite | playwright | | threlte | sharp | rehype | sveltekit | vitest |

Owner

  • Name: Janosh Riebesell
  • Login: janosh
  • Kind: user
  • Location: GitHub

Working on computational chemistry with pre-trained ML force fields

GitHub Events

Total
  • Create event: 38
  • Release event: 5
  • Issues event: 24
  • Watch event: 51
  • Delete event: 50
  • Issue comment event: 63
  • Push event: 167
  • Pull request review event: 143
  • Pull request review comment event: 206
  • Pull request event: 54
Last Year
  • Create event: 38
  • Release event: 5
  • Issues event: 24
  • Watch event: 51
  • Delete event: 50
  • Issue comment event: 63
  • Push event: 167
  • Pull request review event: 143
  • Pull request review comment event: 206
  • Pull request event: 54

Committers

Last synced: 8 months ago

All Time
  • Total Commits: 247
  • Total Committers: 2
  • Avg Commits per committer: 123.5
  • Development Distribution Score (DDS): 0.012
Past Year
  • Commits: 68
  • Committers: 1
  • Avg Commits per committer: 68.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
Janosh Riebesell j****l@g****m 244
pre-commit-ci[bot] 6****] 3

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 23
  • Total pull requests: 97
  • Average time to close issues: 26 days
  • Average time to close pull requests: 5 days
  • Total issue authors: 10
  • Total pull request authors: 3
  • Average comments per issue: 0.91
  • Average comments per pull request: 0.57
  • Merged pull requests: 77
  • Bot issues: 0
  • Bot pull requests: 10
Past Year
  • Issues: 17
  • Pull requests: 56
  • Average time to close issues: 4 days
  • Average time to close pull requests: about 10 hours
  • Issue authors: 8
  • Pull request authors: 3
  • Average comments per issue: 1.18
  • Average comments per pull request: 0.75
  • Merged pull requests: 42
  • Bot issues: 0
  • Bot pull requests: 1
View more stats
Top Authors
Issue Authors
  • janosh (11)
  • Hello-QM (4)
  • wakamiya0315 (1)
  • ml-evs (1)
  • cunzaizhuyi (1)
  • hspark1212 (1)
  • lan496 (1)
  • riziles (1)
  • inuyasha1031 (1)
  • Andrew-S-Rosen (1)
Pull Request Authors
  • janosh (86)
  • pre-commit-ci[bot] (10)
  • ml-evs (1)
Top Labels
Issue Labels
enhancement (7) bug (6) good first issue (3) help wanted (2) ux (2) vscode (2) i18n (1) trajectory (1) structure (1) local env (1) needs info (1) perf (1) parsers (1) cif (1)
Pull Request Labels
enhancement (39) structure (20) fix (9) trajectory (7) testing (7) perf (4) pkg (4) parsers (4) ecosystem (4) ux (4) vscode (4) cif (2) composition (2) plots (2) io (1) symmetry (1) optimade (1) bonding (1) docs (1) periodic table (1) dx (1)

Packages

  • Total packages: 1
  • Total downloads:
    • npm 677 last-month
  • Total dependent packages: 0
  • Total dependent repositories: 0
  • Total versions: 12
  • Total maintainers: 1
npmjs.org: matterviz

Interactive visualizations for materials science: periodic tables, 3D structures, MD trajectories, heatmaps, scatter plots.

  • Versions: 12
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 677 Last month
Rankings
Dependent repos count: 24.4%
Average: 29.8%
Dependent packages count: 35.2%
Maintainers (1)
janosh
Last synced: 6 months ago

Dependencies

package.json npm
  • @playwright/test ^1.24.2 development
  • @sveltejs/adapter-static ^1.0.0-next.39 development
  • @sveltejs/kit ^1.0.0-next.405 development
  • @types/d3-array ^3.0.3 development
  • @types/d3-interpolate-path ^2.0.0 development
  • @types/d3-scale ^4.0.2 development
  • @types/d3-shape ^3.1.0 development
  • @typescript-eslint/eslint-plugin ^5.33.0 development
  • @typescript-eslint/parser ^5.33.0 development
  • d3-array ^3.2.0 development
  • d3-interpolate-path ^2.2.3 development
  • d3-scale ^4.0.2 development
  • d3-shape ^3.1.0 development
  • eslint ^8.21.0 development
  • eslint-plugin-svelte3 ^4.0.0 development
  • hastscript ^7.0.2 development
  • mdsvex ^0.10.6 development
  • prettier ^2.7.1 development
  • prettier-plugin-svelte ^2.7.0 development
  • rehype-autolink-headings ^6.1.1 development
  • rehype-slug ^5.0.1 development
  • svelte ^3.49.0 development
  • svelte-check ^2.8.0 development
  • svelte-github-corner ^0.1.0 development
  • svelte-multiselect ^5.0.6 development
  • svelte-preprocess ^4.10.7 development
  • svelte2tsx ^0.5.13 development
  • typescript ^4.7.4 development
  • vite ^3.0.5 development
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