Open Source Python Scientific/Engineering Software - Page 3
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Python Scientific/Engineering Software
View 202 business solutionsBrowse free open source Python Scientific/Engineering Software and projects below. Use the toggles on the left to filter open source Python Scientific/Engineering Software by OS, license, language, programming language, and project status.
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AWS Data Wrangler
Pandas on AWS, easy integration with Athena, Glue, Redshift, etc.
An AWS Professional Service open-source python initiative that extends the power of Pandas library to AWS connecting DataFrames and AWS data-related services. Easy integration with Athena, Glue, Redshift, Timestream, OpenSearch, Neptune, QuickSight, Chime, CloudWatchLogs, DynamoDB, EMR, SecretManager, PostgreSQL, MySQL, SQLServer and S3 (Parquet, CSV, JSON, and EXCEL). Built on top of other open-source projects like Pandas, Apache Arrow and Boto3, it offers abstracted functions to execute usual ETL tasks like load/unload data from Data Lakes, Data Warehouses, and Databases. Convert the column name to be compatible with Amazon Athena and the AWS Glue Catalog. Run a query against AWS CloudWatchLogs Insights and convert the results to Pandas DataFrame. Get QuickSight dashboard ID given a name and fails if there is more than 1 ID associated with this name. List IAM policy assignments in the current Amazon QuickSight account. -
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Get Physics Done (GPD)
The first open-source agentic AI physicist
Get Physics Done (GPD) is an open-source project designed to accelerate scientific research in physics by leveraging modern computational tools and automation techniques. It aims to simplify the process of performing simulations, calculations, and experimental analysis by providing structured workflows that integrate computational physics methods with reproducible research practices. The project focuses on reducing the friction involved in setting up experiments, running simulations, and analyzing results, allowing researchers to focus more on scientific insight rather than infrastructure. It emphasizes automation and reproducibility, ensuring that experiments can be easily replicated and extended by other researchers. The framework is adaptable to different areas of physics, making it suitable for both theoretical and applied research scenarios. -
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PyMC
Bayesian Modeling and Probabilistic Programming in Python
PyMC is a Python library for probabilistic programming focused on Bayesian statistical modeling and machine learning. Built on top of computational tools like Aesara and NumPy, PyMC allows users to define models using intuitive syntax and perform inference using MCMC, variational inference, and other advanced algorithms. It’s widely used in scientific research, data science, and decision modeling. -
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ROMM
A beautiful, powerful, self-hosted rom manager and player
ROMM is an Android productivity launcher replacement that focuses on giving users faster, easier access to apps, contacts, and information through intuitive gestures, smart search, and contextual suggestions. It reimagines the home screen with adaptive layouts, predictive app recommendations, and dynamic organization so that frequently used tools are always within reach. The launcher includes a powerful universal search that combs through installed apps, contacts, messages, and web results to deliver quick answers without switching contexts. Romm also supports widgets, customization options, and theme choices so users can tailor the visual experience to their preferences while maintaining performance and responsiveness. Privacy is a highlight, with local indexing and search functions that operate without sending data to external servers unless explicitly permitted. -
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TexGen is a geometric textile modelling software package to be used for obtaining engineering properties of woven textiles and textile composites. Citing TexGen We would be grateful if you could acknowledge use of TexGen where appropriate and suggest using one of the following references: L P Brown and A C Long. "Modelling the geometry of textile reinforcements for composites: TexGen", Chapter 8 in "Composite reinforcements for optimum performance (Second Edition)", ed. P Boisse, Woodhead Publishing Ltd, 2021, ISBN: 978-0-12-819005-0. https://doi.org/10.1016/B978-0-12-819005-0.00008-3 Lin, H., Brown, L. P. & Long, A. C. 2011. Modelling and Simulating Textile Structures using TexGen. Advanced Materials Research, 331, 44-47. To reference version 3.13.0 please use: Louise Brown, mike-matveev, & georgespackman. (2023). louisepb/TexGen: TexGen v3.13.1 (v3.13.1). Zenodo. https://doi.org/10.5281/zenodo.8221491
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SciPy
SciPy library main repository
This is the main repository for the SciPy library, one of the core packages that make up the SciPy stack. SciPy is an open source software used in the fields of mathematics, science, and engineering, with modules for statistics, optimization, integration, linear algebra, signal and image processing, and many more. The SciPy library contains many of the user-friendly and efficient numerical routines, including those for numerical integration, interpolation, and optimization. SciPy is built to work with NumPy, a software that provides convenient and fast N-dimensional array manipulation. Both SciPy and NumPy run on all popular operating systems, are fast and easy to install, and are powerful yet easy to use. They’re currently depended upon by numerous leading scientists and engineers all over the world. Try them for yourself! -
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Seamly2D
Free and open source pattern design software
Seamly2D enables the design, reuse, and remix of digital sewing patterns for creating bespoke-fit, specialty-sized, and ready-to-wear-sized clothing. Users have the right to utilize, sell, share, and distribute their patterns in any way they choose. * Downloads: https://seamly.io * Support: https://forum.seamly.io * Code: https://github.com/fashionfreedom/seamly2d * License: GPLv3+ -
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MzDOCK - Multiple Ligand Docking Tool
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
- Molecular Docking Virtual Screening Tool To Aid In Drug Discovery Research. - Published in Wiley, Journal of Computational Chemistry . Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390 - Developed with Synchronized functioning of Python and Batch scripts -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries . Contact us - kabeermuzammil614@gmail.com MzDOCK Development - Available on WindowsOS and Linux ubuntu 22.04 and more -
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Astropy
Repository for the Astropy core package
The Astropy Project is a community effort to develop a common core package for Astronomy in Python and foster an ecosystem of interoperable astronomy packages. Astropy is a Python library for use in astronomy. Learn Astropy provides a portal to all of the Astropy educational material through a single dynamically searchable web page. It allows you to filter tutorials by keywords, search for filters, and make search queries in tutorials and documentation simultaneously. The Anaconda Python Distribution includes Astropy and is the recommended way to install both Python and the Astropy package. The astropy package contains key functionality and common tools needed for performing astronomy and astrophysics with Python. It is at the core of the Astropy Project, which aims to enable the community to develop a robust ecosystem of affiliated packages covering a broad range of needs for astronomical research, data processing, and data analysis. -
MongoDB Atlas runs apps anywhereMongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.
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BQSKit
Berkeley Quantum Synthesis Toolkit
The Berkeley Quantum Synthesis Toolkit (BQSKit) [bis • kit] is a powerful and portable quantum compiler framework. It can be used with ease to compile quantum programs to efficient physical circuits for any QPU. A standard workflow utilizing BQSKit consists of loading a program into the framework, modeling the target QPU, compiling the program, and exporting the resulting circuit. -
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Cookiecutter Data Science
Project structure for doing and sharing data science work
A logical, reasonably standardized, but flexible project structure for doing and sharing data science work. When we think about data analysis, we often think just about the resulting reports, insights, or visualizations. While these end products are generally the main event, it's easy to focus on making the products look nice and ignore the quality of the code that generates them. Because these end products are created programmatically, code quality is still important! And we're not talking about bikeshedding the indentation aesthetics or pedantic formatting standards, ultimately, data science code quality is about correctness and reproducibility. It's no secret that good analyses are often the result of very scattershot and serendipitous explorations. Tentative experiments and rapidly testing approaches that might not work out are all part of the process for getting to the good stuff, and there is no magic bullet to turn data exploration into a simple, linear progression. -
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Earth Enterprise
Google Earth Enterprise - Open Source
Earth Enterprise is the open source version of Google Earth Enterprise (GEE), a powerful geospatial application suite that enables organizations to build and host custom 3D globes and 2D maps using their own imagery and data. Unlike Google Maps or Google Earth, Earth Enterprise does not include Google’s proprietary imagery but instead provides the tools needed to manage and visualize private geospatial datasets. The system is composed of three main components: Fusion, which processes and integrates imagery, vector, and terrain data into unified map layers; Server, which hosts the resulting globes or maps via Apache or Tornado-based web servers; and Client, which includes the Google Earth Enterprise Client (EC) for 3D visualization and the Google Maps JavaScript API V3 for 2D viewing. Designed for enterprise, research, and government use, it allows for secure, scalable deployment of geospatial visualization systems within private infrastructure. -
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Mitiq
Mitiq is an open source toolkit for implementing error mitigation
Mitiq is a Python toolkit for implementing error mitigation techniques on quantum computers. Current quantum computers are noisy due to interactions with the environment, imperfect gate applications, state preparation and measurement errors, etc. Error mitigation seeks to reduce these effects at the software level by compiling quantum programs in clever ways. -
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Perceval
An open source framework for programming photonic quantum computers
An open-source framework for programming photonic quantum computers. Through a simple object-oriented Python API, Perceval provides tools for composing circuits from linear optical components, defining single-photon sources, manipulating Fock states, running simulations, reproducing published experimental papers and experimenting with a new generation of quantum algorithms. It aims to be a companion tool for developing photonic circuits – for simulating and optimizing their design, modeling both the ideal and realistic behaviors, and proposing a normalized interface to control them through the concept of backends. -
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Protenix
A trainable PyTorch reproduction of AlphaFold 3
Protenix is an open-source, trainable PyTorch reimplementation of AlphaFold 3, developed by ByteDance with the goal of democratizing high-accuracy protein structure prediction for computational biology and drug-discovery research. Protenix provides a complete pipeline for turning protein sequences (with optional MSA / sequence alignment) or structural inputs (e.g. PDB/CIF) into full 3D atomic-level structure predictions. It supports both “full” models and lightweight variants such as “Protenix-Mini,” offering a trade-off between speed/compute cost and predictive accuracy — making structure prediction accessible even in resource-constrained environments. The project also includes support for constraints (e.g., specifying residue- or atom-level contact constraints, or pocket constraints) to guide predictions toward biologically or experimentally relevant conformations, which enhances its utility for tasks like modeling complexes, ligands, or antibody–antigen interactions. -
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Superstaq
Quantum software platform that is optimized across the quantum stack
This repository is the home of the Superstaq development team's open-source work. Our quantum software platform is optimized across the quantum stack and enables users to write quantum programs in Cirq or Qiskit and target a variety of quantum computers and simulators. -
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qaqarot
Quantum Computer Library for Everyone
The Blueqat project has been renamed the Qaqarot Project because of the branding strategy of blueqat inc. -
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Presage
the intelligent predictive text entry platform
Presage (formerly Soothsayer) is an intelligent predictive text entry system. Presage generates predictions by modelling natural language as a combination of redundant information sources. Presage computes probabilities for words which are most likely to be entered next by merging predictions generated by the different predictive algorithms. Presage's modular and extensible architecture allows its language model to be extended and customized to utilize statistical, syntactic, and semantic predictive algorithms. Presage's predictive capabilities are implemented by predictive plugins. Predictive plugins use services provided by the platform to implement multiple prediction techniques. -
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Minsky
System dynamics program with additional features for economics
Minsky brings system dynamics and monetary modelling to economics. Models are defined using flowcharts on a drawing canvas (as are Matlab's Simulink, Vensim, Stella, etc). Minsky's unique feature is the "Godley Table", which uses double entry bookkeeping to generate stock-flow consistent models of financial flows. Minsky is good for demonstrating mathematics too, with the most "math-like" interface in system dynamics. Sign up to Minsky's Patreon page (for as little as $1 a month) at https://www.patreon.com/Ravelation/. This creates a user community, which SourceForge doesn't facilitate. -
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SOFA is a statistics, analysis, and reporting program with an emphasis on ease of use, learn as you go, and beautiful output.
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alphageometry
AI-driven neuro-symbolic solver for high-school geometry problems
AlphaGeometry, developed by Google DeepMind, is a theorem-proving system that combines symbolic reasoning with deep learning to solve challenging geometry problems, such as those found in mathematical Olympiads. The repository provides the full implementation of DDAR (Deductive Difference and Abductive Reasoning) and AlphaGeometry, two automated geometry solvers described in the 2024 Nature paper “Solving Olympiad Geometry without Human Demonstrations.” AlphaGeometry integrates a symbolic deduction engine with a transformer-based language model to propose and validate geometric constructions in a stepwise proof process. The DDAR solver focuses purely on rule-based reasoning, while AlphaGeometry enhances this by using a learned model to suggest auxiliary constructions when logical reasoning alone is insufficient. The repository includes pre-trained weights, vocabulary files, and detailed configuration options for reproducing experiments. -
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GromacsProSuite
Graphical User Interface for Gromacs
This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure stable performance during parallel processing. Beyond simulation execution, it includes advanced trajectory processing and analysis tools such as RMSD, RMSF, SASA, clustering, PCA, hydrogen-bond analysis, Ramachandran plots, and FEL mapping. With integrated visualization and plotting utilities, it offers a unified platform for researchers, educators, and students to perform complete MD workflows efficiently and reproducibly. Our Goal is to bring MD simulations to every biologist's toolkit. -
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GenX
X-Ray and Neutron Reflectivity Modeling
GenX is a scientific program to refine x-ray refelcetivity, neutron reflectivity and surface x-ray diffraction data using the differential evolution algorithm. GenX is very modular and highly extensible and can be used as a general fitting program. -
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AlphaGenome
Programmatic access to the AlphaGenome model
The AlphaGenome API provides access to AlphaGenome, Google DeepMind’s unifying model for deciphering the regulatory code within DNA sequences. This repository contains client-side code, examples, and documentation to help you use the AlphaGenome API. AlphaGenome offers multimodal predictions, encompassing diverse functional outputs such as gene expression, splicing patterns, chromatin features, and contact maps. The model analyzes DNA sequences of up to 1 million base pairs in length and can deliver predictions at single-base-pair resolution for most outputs. AlphaGenome achieves state-of-the-art performance across a range of genomic prediction benchmarks, including numerous diverse variant effect prediction tasks. -
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Amazon Braket Default Simulator
An implementation of a quantum simulator that you can run locally
The Amazon Braket Default Simulator is a Python open-source library that provides an implementation of a quantum simulator that you can run locally. You can use the simulator to test quantum tasks that you construct for the Amazon Braket SDK before you submit them to the Amazon Braket service for execution. You must have the Amazon Braket SDK installed to use the local simulator. Follow the instructions in the README for setup. If you want to contribute to the project, be sure to run unit tests and get a successful result before you submit a pull request. The execution times for the performance tests are affected by the other processes running on the system. In order to get stable results, stop other applications when running these tests.
