DFlow Galaxy
Collection of workflows and tools built on top of DFlow and ai2-kit.
Features
Tools
- DFlowBuilder: A type friendly wrapper for
DFlowto 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
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.
Document for Bohrium App development can be found here
Distribution
PyPI
poetry publish --build
Docker
./build-docker.sh
Manuals
1 maintainer
Metadata
1 maintainer
Release files for dflow-galaxy 0.1.9
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| dflow_galaxy-0.1.9.tar.gz | 1.7 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| dflow_galaxy-0.1.9-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 3.5 MB
Release files / dflow_galaxy-0.1.9.tar.gz
| Download URL | dflow_galaxy-0.1.9.tar.gz |
|---|---|
| Size | 1.7 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
poetry/1.7.1 CPython/3.9.12 Linux/5.15.146.1-microsoft-standard-WSL2
|
Release files / dflow_galaxy-0.1.9-py3-none-any.whl
| Download URL | dflow_galaxy-0.1.9-py3-none-any.whl |
|---|---|
| Size | 1.8 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
poetry/1.7.1 CPython/3.9.12 Linux/5.15.146.1-microsoft-standard-WSL2
|
