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Top 23 Python Scientific Computing Projects
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Project mention: [D] Which BLAS library to choose for apple silicon? | reddit.com/r/MachineLearning | 2023-05-24
There are several lessons here: a) vanilla conda-forge numpy and scipy versions come with openblas, and it works pretty well, b) do not use netlib unless your matrices are small and you need to do a lot of SVDs, or idek why c) Apple's veclib/accelerate is super fast, but it is also numerically unstable. So much so that the scipy's devs dropped any support of it back in 2018. Like dang. That said, they are apparently are bring it back in, since the 13.3 release of macOS Ventura saw some major improvements in accelerate performance.
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spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Project mention: Modern SAT solvers: fast, neat and underused (2018) | news.ycombinator.com | 2023-05-26 -
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Maybe something like eliot could work for you
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Please note that OpenCL consists of two parts: host API and a separate language which is used to write kernels (code which is going to be offloaded to devices). OpenCL specification describes host APIs as C-style APIs and that is what implementors has to provide. However, there are number of various libraries which provides bindings for other languages: - C++ - Python - Go - Rust
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InfluxDB
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Project mention: Look for: A low-cost project for 2nd-year college student | reddit.com/r/AerospaceEngineering | 2022-10-10
Contribute to open-source aerospace libraries like poliastro
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Project mention: [D] what are the SOTA neural PDE solvers besides FNO? | reddit.com/r/MachineLearning | 2022-11-22
try https://github.com/pdebench/pdebench
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I like this. I created a GitHub issue: https://github.com/iheartla/iheartla/issues/138
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monaco
Quantify uncertainty and sensitivities in your computer models with an industry-grade Monte Carlo library.
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Project mention: Time series modeling using ARIMA and XGBoost. Intro to free time series modeling resources | reddit.com/r/datascience | 2023-02-15
For (what I understand to as) a mutual information analogue of correlation coefficients, there's a native Python implementation, ennemi.
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qha
A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
Software from our group (cij[1], qha[2]) were developed when numba seems to be the best option for JIT. It generates more pain in the hindsight. It generates a lot of depreciated warning due to unstable API, locked numpy to a certain version (i remember 1.21) due to compatibility issues, and when M1 Mac comes out, there were for a long time lack of llvmlite porting to the new platform, so cannot run on these new Macs.
If I had to do it again I would just use plain numpy or use the JAX from Google if JIT is really necessary.
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Project mention: Books/ other resources to learn about Fraunhofer diffraction farfield model using MATLAB/python? | reddit.com/r/Optics | 2023-05-11
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Software from our group (cij[1], qha[2]) were developed when numba seems to be the best option for JIT. It generates more pain in the hindsight. It generates a lot of depreciated warning due to unstable API, locked numpy to a certain version (i remember 1.21) due to compatibility issues, and when M1 Mac comes out, there were for a long time lack of llvmlite porting to the new platform, so cannot run on these new Macs.
If I had to do it again I would just use plain numpy or use the JAX from Google if JIT is really necessary.
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Project mention: Tensortrax: A python package for gradient and hessian evaluations (by forward-mode AD / hyper-dual numbers) of functions. | reddit.com/r/Python | 2022-12-27
Motivation and personal usage: For the gradient as well as the hessian of the strain energy function used for the (mechanical) stress evaluation of hyperelastic solids I needed a fast automatic differentiation package for simulations I'll have to perform for my PhD thesis. During finite element simulations, such a function must be evaluated for thousands or even millions of 3x3 tensors. Therefore, tensortrax supports input arrays with (but of course, optional) trailing axes.
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NOTE:
The open source projects on this list are ordered by number of github stars.
The number of mentions indicates repo mentiontions in the last 12 Months or
since we started tracking (Dec 2020).
The latest post mention was on 2023-05-26.
Python Scientific Computing related posts
- Look for: A low-cost project for 2nd-year college student
- [Dev-Showcase] Airfoil Optimisation using Physics Informed Neural Networks(PINNs)
- Open source / part time research in the world of HPC?
- harold open source controls package for Python - v1.0.2 announcement
- Control theory related open source project
- Brand New HPC Sysadmin at a Major University, Where to Start?
- [D] Inverse of Event Detection - Temporal Disruption Analysis
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Index
What are some of the best open-source Scientific Computing projects in Python? This list will help you:
| Project | Stars | |
|---|---|---|
| 1 | SciPy | 11,281 |
| 2 | spack | 3,427 |
| 3 | PyCUDA | 1,543 |
| 4 | ruptures | 1,225 |
| 5 | Eliot | 1,037 |
| 6 | pyopencl | 974 |
| 7 | pyGAM | 770 |
| 8 | poliastro | 739 |
| 9 | PDEBench | 387 |
| 10 | pysph | 358 |
| 11 | awesome-scientific-python | 195 |
| 12 | iheartla | 188 |
| 13 | harold | 160 |
| 14 | aicsimageio | 149 |
| 15 | cytoflow | 146 |
| 16 | pybobyqa | 65 |
| 17 | monaco | 43 |
| 18 | ennemi | 28 |
| 19 | qha | 22 |
| 20 | lentil | 10 |
| 21 | cij | 7 |
| 22 | tensortrax | 2 |
| 23 | expression_evaluator | 0 |
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