https://github.com/link89/dflow-galaxy
A collection of workflows that are built with DFlow.
https://github.com/link89/dflow-galaxy
Last synced: 5 months ago
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A collection of workflows that are built with DFlow.
- Host: GitHub
- URL: https://github.com/link89/dflow-galaxy
- Owner: link89
- License: agpl-3.0
- Created: 2024-01-30T01:22:04.000Z (over 2 years ago)
- Default Branch: main
- Last Pushed: 2024-08-15T07:01:54.000Z (almost 2 years ago)
- Last Synced: 2024-10-24T00:18:45.479Z (over 1 year ago)
- Language: Python
- Size: 20.9 MB
- Stars: 0
- Watchers: 2
- Forks: 3
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- Changelog: CHANGELOG.md
- License: LICENSE
Awesome Lists containing this project
README
# DFlow Galaxy
[](https://badge.fury.io/py/dflow-galaxy)
[](https://pepy.tech/project/dflow-galaxy)
[](https://hub.docker.com/repository/docker/link89/dflow-galaxy/general)
Collection of workflows and tools built on top of DFlow and [ai2-kit](https://github.com/chenggroup/ai2-kit).
## Features
### Tools
* DFlowBuilder: A type friendly wrapper for `DFlow` to build workflows in a more intuitive way.
### Workflow
* TESLA: a **T**raining-**E**xploration-**S**creening-**L**abeling workflow developed by **AI4EC**. Get inspired by [DPGEN](https://github.com/deepmodeling/dpgen), [DPGEN2](https://github.com/deepmodeling/dpgen2), powered by [ai2-kit](https://github.com/chenggroup/ai2-kit).
### [Bohrium Apps](https://bohrium.dp.tech/apps)
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:
```bash
pip install dflow-galaxy
```
For developers, please use `poetry` to bootstrap the development environment:
```bash
poetry install
poetry shell
```
## Bohrium App
The entry of the Bohrium App are in the [launch_app](./launch_app/) directory, and the actual implementation are in the [dflow_galaxy/app](./dflow_galaxy/app/) directory.
### Documents
* [Bohrium App development](https://dptechnology.feishu.cn/docx/JPqgdmN1woxO8jxRtMycqWPQnIg)
* [Publish New Bohrium App](https://dptechnology.feishu.cn/wiki/GS1Wwaa1niOPyJkmqqTcJ0r1nfb)
## Distribution
### PyPI
```bash
poetry publish --build
```
### Docker
```bash
./build-docker.sh
```
## Manuals
* [TESLA Workflow](doc/tesla.md)