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A collection of workflows that are built with DFlow.

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DFlow Galaxy

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Collection of workflows and tools built on top of DFlow and ai2-kit.

Features

Tools

  • DFlowBuilder: A type friendly wrapper for DFlow to build workflows in a more intuitive way.

Workflow

  • TESLA: a Training-Exploration-Screening-Labeling workflow developed by AI4EC. Get inspired by DPGEN, DPGEN2, powered by ai2-kit.

Bohrium Apps are cloud native apps that can be run on Bohrium Platform.

  • CP2K Lightning: Run CP2K without building input files from scratch.
  • DynaCat TESLA: An automated workflow to generated DeepMD potential for DynaCat.
  • DynaCat MD: Run MD simulations with DeepMD potential for DynaCat.

Get Started

dflow-galaxy requires Python 3.9+ since it depends on typing.Annotated.

To use dflow-galaxy as a library, you can install it via pip:

pip install dflow-galaxy

For developers, please use poetry to bootstrap the development environment:

poetry install
poetry shell

Bohrium App

The entry of the Bohrium App are in the launch_app directory, and the actual implementation are in the dflow_galaxy/app directory.

Documents

Distribution

PyPI

poetry publish --build

Docker

./build-docker.sh

Manuals

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A collection of workflows that are built with DFlow.

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  • Python 92.1%
  • Jupyter Notebook 7.1%
  • Other 0.8%