chemprop
Message Passing Neural Networks for Molecule Property Prediction (by chemprop)
hummingbird
Hummingbird compiles trained ML models into tensor computation for faster inference. (by microsoft)
chemprop | hummingbird | |
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1 | 9 | |
1,558 | 3,304 | |
3.5% | 0.5% | |
9.9 | 7.1 | |
3 days ago | 15 days ago | |
Python | Python | |
GNU General Public License v3.0 or later | MIT License |
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
chemprop
Posts with mentions or reviews of chemprop.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2021-02-25.
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Project Update 20201131
There have been many attempts at this, the most sucessful of which is MIT's ChemProp, which we are actively working on tuning for our goals!
hummingbird
Posts with mentions or reviews of hummingbird.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2023-06-11.
- Treebomination: Convert a scikit-learn decision tree into a Keras model
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[D] GPU-enabled scikit-learn
If are interested in just predictions you can try Hummingbird. It is part of the PyTorch ecosystem. We get already trained scikit-learn models and translate them into PyTorch models. From them you can run your model on any hardware support by PyTorch, export it into TVM, ONNX, etc. Performance on hardware acceleration is quite good (orders of magnitude better than scikit-learn is some cases)
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Machine Learning with PyTorch and Scikit-Learn – The *New* Python ML Book
I think Rapids AI's cuML tried to go into this direction (essentially scikit-learn on the GPU): https://docs.rapids.ai/api/cuml/stable/api.html#logistic-reg.... For some reason it never took really off though.
Btw., going on a tangent, you might like Hummingbird (https://github.com/microsoft/hummingbird). It allows you trained scikit-learn tree-based models to PyTorch. I watched the SciPy talk last year, and it's a super smart & elegant idea.
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Export and run models with ONNX
ONNX opens an avenue for direct inference using a number of languages and platforms. For example, a model could be run directly on Android to limit data sent to a third party service. ONNX is an exciting development with a lot of promise. Microsoft has also released Hummingbird which enables exporting traditional models (sklearn, decision trees, logistical regression..) to ONNX.
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Supreme Court, in a 6–2 ruling in Google v. Oracle, concludes that Google’s use of Java API was a fair use of that material
And Python.
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[D] Here are 3 ways to Speed Up Scikit-Learn - Any suggestions?
For inference, you can convert your models to other formats that support GPU acceleration. See Hummingbird https://github.com/microsoft/hummingbird
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[D] Microsoft library, Hummingbird, compiles trained ML models into tensor computation for faster inference.
The surprising thing is that Hummingbird can be faster than the GPU implementation of LightGBM (and XGBoost) if you use tensor compilers such as TVM. [The paper](https://www.usenix.org/conference/osdi20/presentation/nakandala) describes our findings. We have also open sourced the [benchmark code](https://github.com/microsoft/hummingbird/tree/main/benchmarks) so you try yourself!
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I learned about Microsoft's Hummingbird library today. 1000x performance??
I took their sample code from Github and tweaked it to spit out times for each model's prediction, as well as increase the number of rows to 5 million. I used Google's Colab and selected GPU for my hardware accelerator. This gives an option to run code on GPU, not that all computations will happen on the GPU.
What are some alternatives?
When comparing chemprop and hummingbird you can also consider the following projects:
pyod - A Comprehensive and Scalable Python Library for Outlier Detection (Anomaly Detection)
onnx - Open standard for machine learning interoperability