No project description provided
Project description
DFlow Galaxy
Collection of workflows and tools built on top of DFlow and ai2-kit.
Features
- DFlowBuilder: A type friendly wrapper for
DFlow
to build workflows in a more intuitive way. - Workflows:
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 Launch App
This repository also contains some launch apps for Bohrium. The entry of the Bohrium launch app is in the launch_app
directory, and relative modules are in the dflow_galaxy/app
directory.
Currently, the following launch apps are available:
- 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.
Distribution
PyPI
poetry publish --build
Docker
./build-docker.sh
Manuals
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
dflow_galaxy-0.1.6.tar.gz
(1.7 MB
view hashes)
Built Distribution
Close
Hashes for dflow_galaxy-0.1.6-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | bc7388b10ca8deadb20c810c4f784432870e43cc8e2d8b53bb10765f5fff15fe |
|
MD5 | 9cfce5e58c7730b67e1e64191ab8a15e |
|
BLAKE2b-256 | d4bf38c354e7e04ecf5c0f204a6196f465bb9b4491f816e261d5d34b09e8ef11 |