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atomistic-software Public
Tracking citations of atomistic simulation engines
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ansible-dokku Public
Forked from dokku/ansible-dokkuAnsible modules for installing and configuring Dokku
Python MIT License UpdatedOct 27, 2025 -
dftpicker Public
Pick the most accurate DFT code for your chemical system
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gradio-feedstock Public
Forked from conda-forge/gradio-feedstockA conda-smithy repository for gradio.
BSD 3-Clause "New" or "Revised" License UpdatedSep 16, 2025 -
open-7m-workout Public
Open-source implementation of 7-minute workout
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panel Public
Forked from holoviz/panelA high-level app and dashboarding solution for Python
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 22, 2025 -
fastapi_mcp Public
Forked from tadata-org/fastapi_mcpExpose your FastAPI endpoints as Model Context Protocol (MCP) tools, with Auth!
Python MIT License UpdatedJun 20, 2025 -
jax-md-feedstock Public
Forked from conda-forge/jax-md-feedstockA conda-smithy repository for jax-md.
BSD 3-Clause "New" or "Revised" License UpdatedJun 3, 2025 -
aiida-core-feedstock Public
Forked from conda-forge/aiida-core-feedstockA conda-smithy repository for aiida-core.
BSD 3-Clause "New" or "Revised" License UpdatedMay 9, 2025 -
awesome-materials-informatics Public
Forked from tilde-lab/awesome-materials-informaticsCurated list of current known efforts in materials informatics
UpdatedApr 3, 2025 -
weas-widget Public
Forked from superstar54/weas-widgetA widget to visualize and edit atomistic structures in Jupyter Notebook
Python MIT License UpdatedFeb 1, 2025 -
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toolkit Public
Forked from overleaf/toolkitShell GNU Affero General Public License v3.0 UpdatedNov 29, 2024 -
CrabNet Public
Forked from anthony-wang/CrabNetPredict materials properties using only the composition information!
Python MIT License UpdatedNov 25, 2024 -
kedro Public
Forked from kedro-org/kedroKedro is a toolbox for production-ready data science. It uses software engineering best practices to help you create data engineering and data science pipelines that are reproducible, maintainable,…
Python Apache License 2.0 UpdatedAug 19, 2024 -
llamp Public
Forked from chiang-yuan/llampA web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai
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lammps-feedstock Public
Forked from conda-forge/lammps-feedstockA conda-smithy repository for lammps.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJul 24, 2024 -
azure-functions-core-tools Public
Forked from Azure/azure-functions-core-toolsCommand line tools for Azure Functions
C# MIT License UpdatedJun 27, 2024 -
ADIS2023 Public
Forked from materialdigital/ADIS2023Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.
Jupyter Notebook UpdatedJun 17, 2024 -
LangSim Public
Forked from jan-janssen/LangSimApplication of Large Language Models (LLM) for computational materials science
Jupyter Notebook UpdatedMay 24, 2024 -
pytest Public
Forked from pytest-dev/pytestThe pytest framework makes it easy to write small tests, yet scales to support complex functional testing
Python MIT License UpdatedMay 13, 2024 -
aiida-registry Public
Forked from aiidateam/aiida-registryFind plugins for AiiDA
Python UpdatedMar 16, 2024 -
qe-feedstock Public
Forked from conda-forge/qe-feedstockA conda-smithy repository for qe.
Shell BSD 3-Clause "New" or "Revised" License UpdatedFeb 29, 2024 -
az-hop Public
Forked from Azure/az-hopThe Azure HPC On-Demand Platform provides an HPC Cluster Ready solution
HCL MIT License UpdatedFeb 23, 2024 -
aiida-plugin-cutter Public
Forked from aiidateam/aiida-plugin-cutterCookie cutter recipe for AiiDA plugins.
Python UpdatedJan 29, 2024 -
aiida-diff Public
Forked from aiidateam/aiida-diffAiiDA demo plugin that computes the difference between two files.
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yambo-feedstock Public
Forked from conda-forge/yambo-feedstockA conda-smithy repository for yambo.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJan 3, 2024 -
azurehpc-health-checks Public
Forked from Azure/azurehpc-health-checksHealth checks for Azure N- and H-series VMs.
Shell MIT License UpdatedDec 12, 2023 -
scine-utilities-python-feedstock Public
Forked from conda-forge/scine-utilities-python-feedstockA conda-smithy repository for scine-utilities-python.
Shell BSD 3-Clause "New" or "Revised" License UpdatedDec 5, 2023 -
scine-utilsos-feedstock Public
Forked from conda-forge/scine-utilsos-feedstockA conda-smithy repository for scine-utilsos.
Shell BSD 3-Clause "New" or "Revised" License UpdatedDec 5, 2023
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