oss.yml

projects:
  - name: pymatgen
    url: https://pymatgen.org
    logo: https://github.com/janosh/blog/assets/30958850/db9aa145-7281-40e9-aaa7-123f63beb7f9
    repo: https://github.com/materialsproject/pymatgen
    role: Maintainer
    description: One of the largest and most popular open source materials analysis codes that defines classes for structures, molecules, slabs, etc. and interfaces seamlessly with various other materials codes. It also powers the Materials Project.
    languages:
      - Python
      - Cython
      - Jupyter Notebook
    stars: 1259
    commits: 937
  - name: Matbench Discovery
    url: https://matbench-discovery.materialsproject.org
    img_style: 'filter: invert(1);'
    repo: https://github.com/janosh/matbench-discovery
    paper: riebesell_matbench_2023
    description: Benchmark for machine learning energy models simulating a real-world materials discovery campaign.
    languages:
      - Python
      - Svelte
      - CSS
      - TypeScript
      - JavaScript
      - HTML
    stars: 55
    commits: 313
  - name: CHGNet
    url: https://chgnet.lbl.gov
    repo: https://github.com/CederGroupHub/chgnet
    role: Maintainer
    paper: deng_chgnet_2023
    description: Pretrained universal neural network potential for charge-informed atomistic modeling published on the Sep 2023 cover of NMI.
    languages:
      - Python
      - C
      - Cython
      - CSS
      - Svelte
      - HTML
      - JavaScript
      - TypeScript
    stars: 166
    commits: 168
  - name: MACE
    url: https://mace-docs.readthedocs.io
    repo: https://github.com/ACEsuit/mace
    role: Contributor
    paper: riebesell_foundation_2023
    description: Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
    logo: https://avatars.githubusercontent.com/u/68508620
    stars: 302
    commits: 21
    languages:
      - Python
      - Shell
  - name: Elementari
    url: https://elementari.janosh.dev
    repo: https://github.com/janosh/elementari
    description: A library of Svelte components for building interactive web apps with performant chemistry visualizations like periodic tables, Bohr atoms, nuclei, heatmaps, scatter plots.
    languages:
      - TypeScript
      - Svelte
      - CSS
      - Python
      - JavaScript
      - HTML
    stars: 109
    commits: 174
  - name: pymatviz
    url: https://pymatviz.janosh.dev
    img_style: 'filter: invert(1);'
    repo: https://github.com/janosh/pymatviz
    description: A toolkit for visualizations in materials informatics to complement pymatgen.
    languages:
      - Python
      - Svelte
      - CSS
      - TypeScript
      - HTML
      - JavaScript
    stars: 102
    commits: 235
  - name: Tensorboard Reducer
    repo: https://github.com/janosh/tensorboard-reducer
    logo: https://raw.githubusercontent.com/janosh/tensorboard-reducer/main/assets/tensorboard-reducer-square.svg
    description: Reduce multiple PyTorch TensorBoard runs to new events/CSV/JSON. Good for model ensembles.
    pypi: https://pypi.org/project/tensorboard-reducer
    languages:
      - Python
      - TeX
    stars: 61
    commits: 79
  - name: Normalizing Flows
    repo: https://github.com/janosh/awesome-normalizing-flows
    logo: https://api.iconify.design/logos:awesome.svg?color=%23888888
    description: Curated list of resources for learning and using normalizing flows, a powerful tool in ML for modeling probability distributions.
    languages:
      - Python
    stars: 1253
    commits: 72
  - name: atomate2
    repo: https://github.com/materialsproject/atomate2
    role: Maintainer
    logo: https://github.com/materialsproject/atomate2/assets/30958850/53e02adf-5bdb-4c8e-8076-cb30765ac0db
    description: |
      atomate2 is a library of computational materials science workflows used by the Materials Project and beyond.
      It supports multiple DFT codes and downstream analysis tools. Recently, we added machine learning
      potential-powered structure relaxation workflows.
    languages:
      - Python
    stars: 114
    commits: 349
  - name: jobflow
    repo: https://github.com/materialsproject/jobflow
    role: Maintainer
    logo: https://user-images.githubusercontent.com/30958850/275247234-0650d187-8a42-4962-a95d-ff40354baf6b.svg
    description: |
      jobflow is a library for writing computational workflows. It provides the plumbing underlying atomate2
      and was adopted by several other workflow libraries.
    languages:
      - Python
      - TeX
    stars: 77
    commits: 100
  - name: Aviary
    repo: https://github.com/CompRhys/aviary
    role: Maintainer
    logo: https://raw.githubusercontent.com/janosh/tikz/main/assets/aviary/aviary.svg
    description: Compositional, structural and coarse-grained structural ML energy model implementations (Roost, Wren, CGCNN, Wrenformer) with a consistent API.
    pypi: https://pypi.org/project/tensorboard-reducer
    languages:
      - Python
    stars: 36
    commits: 234
  - name: MatCalc
    url: https://materialsvirtuallab.github.io/matcalc
    logo: https://github.com/materialsvirtuallab/matcalc/assets/30958850/89486f2f-73fb-40fb-803a-dfafe510eb6d
    repo: https://github.com/materialsvirtuallab/matcalc
    role: Maintainer
    description: A Python library for calculating materials properties from ML force field potential energy surfaces.
    languages:
      - Python
    stars: 37
    commits: 66
  - name: TikZ
    url: https://tikz.janosh.dev
    repo: https://github.com/janosh/tikz
    description: Collection TikZ figures for concepts in physics/chemistry/ML.
    stars: 170
    commits: 187
    languages:
      - TeX
      - Svelte
      - Python
      - TypeScript
      - Shell
      - CSS
      - HTML
      - JavaScript
  - name: Dielectrics
    url: https://janosh.github.io/dielectrics
    repo: https://github.com/janosh/dielectrics
    description: Pushing the Pareto front of band gap and permittivity with ML-guided dielectrics discovery incl. experimental synthesis.
    logo: https://github.com/janosh/tikz/raw/main/assets/plate-capacitor/plate-capacitor.svg
    paper: riebesell_pushing_2024
    stars: 6
    commits: 12
    languages:
      - Python
      - ReScript
      - Roff
  - name: MultiSelect
    url: https://multiselect.janosh.dev
    repo: https://github.com/janosh/svelte-multiselect
    description: Keyboard-friendly, accessible and customizable multi-select web component.
    languages:
      - TypeScript
      - Svelte
      - CSS
      - HTML
      - JavaScript
    stars: 247
    commits: 269