ZnTrack
IPSuite
ZnTrack | IPSuite | |
---|---|---|
2 | 2 | |
41 | 14 | |
- | - | |
7.7 | 8.8 | |
6 days ago | 13 days ago | |
Python | Python | |
Apache License 2.0 | Eclipse Public License 2.0 |
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ZnTrack
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What are some good examples of well-engineered pipelines
I expaned a bit on them with my own package https://zntrack.readthedocs.io/ - a general framework for building DVC pipelines through python scripts (and more). This finally brings me to the project I'm actually working on https://github.com/zincware/IPSuite which brings all of this together for the specific use case of machine learned interatomic potentials.
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HPC Rocket - A tool to run Slurm jobs from CI pipelines
This looks really interesting! I have a similar scenario but haven't looked into it yet. Have you looked at dvc.org - I'm planning on using it together with slurm and what they call CML for my projects. On that context I also wrote a tool that makes DVC more pythonic https://github.com/zincware/ZnTrack altough I'm currently restructuring it a bit but having backwards compatibility in mind.
IPSuite
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What are some good examples of well-engineered pipelines
I expaned a bit on them with my own package https://zntrack.readthedocs.io/ - a general framework for building DVC pipelines through python scripts (and more). This finally brings me to the project I'm actually working on https://github.com/zincware/IPSuite which brings all of this together for the specific use case of machine learned interatomic potentials.
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Sunday Daily Thread: What's everyone working on this week?
I'm using different regression models from the realm of machine learning to use as a surrogate to predict the interaction between particles for molecular dynamics simulations. I'm sure that the currently mostly undocumented code of my work will help you understand https://github.com/zincware/ipsuite /s
What are some alternatives?
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Activeloop Hub - Data Lake for Deep Learning. Build, manage, query, version, & visualize datasets. Stream data real-time to PyTorch/TensorFlow. https://activeloop.ai [Moved to: https://github.com/activeloopai/deeplake]
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autoinject - Automated dependency injection for Python
jacamar-ci
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dvc - 🦉 ML Experiments and Data Management with Git
example-get-started - Get started DVC project