| Name | dflow-galaxy JSON |
| Version |
0.1.9
JSON |
| download |
| home_page | None |
| Summary | None |
| upload_time | 2024-05-13 06:48:37 |
| maintainer | None |
| docs_url | None |
| author | weihong.xu |
| requires_python | <4.0,>=3.9 |
| license | None |
| keywords |
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| VCS |
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| bugtrack_url |
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| requirements |
No requirements were recorded.
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| Travis-CI |
No Travis.
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| coveralls test coverage |
No coveralls.
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# 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.
Document for Bohrium App development can be found [here](https://dptechnology.feishu.cn/docx/JPqgdmN1woxO8jxRtMycqWPQnIg)
## Distribution
### PyPI
```bash
poetry publish --build
```
### Docker
```bash
./build-docker.sh
```
## Manuals
* [TESLA Workflow](doc/tesla.md)
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"description": "# DFlow Galaxy\n\n[](https://badge.fury.io/py/dflow-galaxy)\n[](https://pepy.tech/project/dflow-galaxy)\n[](https://hub.docker.com/repository/docker/link89/dflow-galaxy/general)\n\n\nCollection of workflows and tools built on top of DFlow and [ai2-kit](https://github.com/chenggroup/ai2-kit).\n\n## Features\n\n### Tools\n* DFlowBuilder: A type friendly wrapper for `DFlow` to build workflows in a more intuitive way.\n\n### Workflow\n* 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).\n\n### [Bohrium Apps](https://bohrium.dp.tech/apps)\nBohrium Apps are cloud native apps that can be run on Bohrium Platform. \n\n* CP2K Lightning: Run CP2K without building input files from scratch.\n* DynaCat TESLA: An automated workflow to generated DeepMD potential for DynaCat.\n* DynaCat MD: Run MD simulations with DeepMD potential for DynaCat. \n\n## Get Started\n`dflow-galaxy` requires Python 3.9+ since it depends on `typing.Annotated`.\n\nTo use `dflow-galaxy` as a library, you can install it via pip:\n\n```bash\npip install dflow-galaxy\n```\n\nFor developers, please use `poetry` to bootstrap the development environment:\n\n```bash\npoetry install\npoetry shell\n```\n\n## Bohrium App\nThe 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.\n\nDocument for Bohrium App development can be found [here](https://dptechnology.feishu.cn/docx/JPqgdmN1woxO8jxRtMycqWPQnIg)\n\n\n\n## Distribution\n### PyPI\n```bash\npoetry publish --build\n```\n### Docker\n```bash\n./build-docker.sh\n```\n\n## Manuals\n* [TESLA Workflow](doc/tesla.md)\n",
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