Open Source Python Scientific/Engineering Software - Page 7
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Python Scientific/Engineering Software
View 201 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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Next-Gen Encryption for Post-Quantum Security | CLEAR by Quantum KnightCLEAR by Quantum Knight is a FIPS-140-3 validated encryption SDK engineered for enterprises requiring top-tier security. Offering robust post-quantum cryptography, CLEAR secures files, streaming media, databases, and networks with ease across over 30 modern platforms. Its compact design, smaller than a single smartphone image, ensures maximum efficiency and low energy consumption.
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Data management solutions for confident marketingVerify, deduplicate, manipulate, and assign records automatically to keep your CRM data accurate, complete, and ready for business.
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Python module to interface the CLIPS expert system shell library.
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xrayutilities
a package with useful scripts for X-ray diffraction physicists
xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). More detailed description as well as documentation can be found at webpage http://xrayutilities.sourceforge.io/. Downloads for windows can be found on http://pypi.python.org/pypi/xrayutilities Development is performed on github: https://github.com/dkriegner/xrayutilities -
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BEVFormer
Implementation of BEVFormer, a camera-only framework
3D visual perception tasks, including 3D detection and map segmentation based on multi-camera images, are essential for autonomous driving systems. In this work, we present a new framework termed BEVFormer, which learns unified BEV representations with spatiotemporal transformers to support multiple autonomous driving perception tasks. In a nutshell, BEVFormer exploits both spatial and temporal information by interacting with spatial and temporal space through predefined grid-shaped BEV queries. To aggregate spatial information, we design spatial cross-attention that each BEV query extracts the spatial features from the regions of interest across camera views. For temporal information, we propose temporal self-attention to recurrently fuse the history BEV information. Our approach achieves the new state-of-the-art 56.9\% in terms of NDS metric on the nuScenes \texttt{test} set, which is 9.0 points higher than previous best arts and on par with the performance of LiDAR-based baseline. -
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BioEmu
Inference code for scalable emulation of protein equilibrium ensembles
Biomolecular Emulator (BioEmu for short) is a model that samples from the approximated equilibrium distribution of structures for a protein monomer, given its amino acid sequence. By default, unphysical structures (steric clashes or chain discontinuities) will be filtered out, so you will typically get fewer samples in the output than requested. The difference can be very large if your protein has large disordered regions, which are very likely to produce clashes. BioEmu outputs structures in backbone frame representation. To reconstruct the side-chains, several tools are available. As an example, we interface with HPacker to conduct side-chain reconstruction and also provide basic tooling for running a short molecular dynamics (MD) equilibration. -
Outbound sales softwareAdversus is an outbound dialing solution that helps you streamline your call strategies, automate manual processes, and provide valuable insights to improve your outbound workflows and efficiency.
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BioNeMo
BioNeMo Framework: For building and adapting AI models
BioNeMo is an AI-powered framework developed by NVIDIA for protein and molecular generation using deep learning models. It provides researchers and developers with tools to design, analyze, and optimize biological molecules, aiding in drug discovery and synthetic biology applications. -
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FairChem
FAIR Chemistry's library of machine learning methods for chemistry
FAIRChem is a unified library for machine learning in chemistry and materials, consolidating data, pretrained models, demos, and application code into a single, versioned toolkit. Version 2 modernizes the stack with a cleaner core package and breaking changes relative to V1, focusing on simpler installs and a stable API surface for production and research. The centerpiece models (e.g., UMA variants) plug directly into the ASE ecosystem via a FAIRChem calculator, so users can run relaxations, molecular dynamics, spin-state energetics, and surface catalysis workflows with the same pretrained network by switching a task flag. Tasks span heterogeneous domains—catalysis (OC20-style), inorganic materials (OMat), molecules (OMol), MOFs (ODAC), and molecular crystals (OMC)—allowing one model family to serve many simulations. The README provides quick paths for pulling models (e.g., via Hugging Face access), then running energy/force predictions on GPU or CPU. -
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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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JAX
Composable transformations of Python+NumPy programs
With its updated version of Autograd, JAX can automatically differentiate native Python and NumPy functions. It can differentiate through loops, branches, recursion, and closures, and it can take derivatives of derivatives of derivatives. It supports reverse-mode differentiation (a.k.a. backpropagation) via grad as well as forward-mode differentiation, and the two can be composed arbitrarily to any order. What’s new is that JAX uses XLA to compile and run your NumPy programs on GPUs and TPUs. Compilation happens under the hood by default, with library calls getting just-in-time compiled and executed. But JAX also lets you just-in-time compile your own Python functions into XLA-optimized kernels using a one-function API, jit. Compilation and automatic differentiation can be composed arbitrarily, so you can express sophisticated algorithms and get maximal performance without leaving Python. -
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Manim Python
Animation engine for explanatory math videos
Manim is a Python library and animation engine designed for creating precise, programmatic mathematical visuals—famously used by 3Blue1Brown. It enables developers and educators to script animations using code and produce high-quality explanatory math videos. -
The full-stack observability platform that protects your dataLayer, tags and conversion dataCode-Cube.io detects issues instantly, alerts you in real time and helps you resolve them fast. No manual QA. No unreliable data. Just data you can trust and act on.
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PaperQA2
High accuracy RAG for answering questions from scientific documents
PaperQA2 is a package for doing high-accuracy retrieval augmented generation (RAG) on PDFs or text files, with a focus on the scientific literature. See our recent 2024 paper to see examples of PaperQA2's superhuman performance in scientific tasks like question answering, summarization, and contradiction detection. In this example we take a folder of research paper PDFs, magically get their metadata - including citation counts and a retraction check, then parse and cache PDFs into a full-text search index, and finally answer the user question with an LLM agent. -
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Pootle Django
Online translation tool
Pootle is written in Python using the Django framework and therefore can be installed on any web server that supports serving WSGI applications. Key localization file formats are supported, including Gettext PO, XLIFF, Java .properties, PHP arrays and many more supported by the Translate Toolkit. Ensures the best quality localizations by automatically detecting common errors made by translators. Integrates user suggestions, terminology, Translation Memory, Machine Translation, and more. A number of translation projects for a number of languages can be hosted on Pootle. Teams can manage their files, permissions, projects, and translate on-line. Files can be downloaded for offline translation. Delegate to your translators and allow them to commit directly to your version control systems. Pootle can easily be adapted and integrated into your existing web look and feel. -
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RoboSchool
Open source software for robot simulation, integrated with OpenAI Gym
Roboschool is a set of open source robot simulation environments for reinforcement learning, created as an alternative to the Mujoco physics engine. It integrates with OpenAI Gym and provides a variety of continuous control tasks, including humanoid locomotion, quadrupeds, and robotic arms. The library is built on the Bullet Physics engine, making it accessible without the licensing requirements of Mujoco. Roboschool includes training scripts and examples for applying reinforcement learning algorithms to its environments. While the project has since been deprecated in favor of more modern frameworks, it remains historically significant as a bridge between early reinforcement learning research and scalable, open-access environments. Its goal was to make reproducible robot learning experiments available to a wider audience without restrictive dependencies . -
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Swift Numerics
Advanced mathematical types and functions for Swift
Swift Numerics is a foundational library that extends the Swift standard library with essential numerical protocols, types, and functions needed for scientific and systems programming. It defines generic abstractions over real and complex numbers so algorithms can be written once and work across concrete floating-point types. The package includes RealModule utilities and a full Complex type with the expected arithmetic and transcendental functions, bridging a long-standing gap for numerics in Swift. API design follows Swift’s emphasis on value semantics and protocol-oriented programming, enabling compiler optimizations and predictable performance. The modules are factored to keep dependencies minimal and to allow adopters to pull in only what they need. As a result, Swift Numerics underpins higher-level libraries in simulation, signal processing, and machine learning written in pure Swift. -
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TorchQuantum
A PyTorch-based framework for Quantum Classical Simulation
A PyTorch-based framework for Quantum Classical Simulation, Quantum Machine Learning, Quantum Neural Networks, Parameterized Quantum Circuits with support for easy deployments on real quantum computers. Researchers on quantum algorithm design, parameterized quantum circuit training, quantum optimal control, quantum machine learning, and quantum neural networks. Dynamic computation graph, automatic gradient computation, fast GPU support, batch model terrorized processing. -
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UnsupervisedMT
Phrase-Based & Neural Unsupervised Machine Translation
Unsupervised Machine Translation is a research repository that implements both phrase-based SMT and neural MT approaches for translation without parallel corpora. The neural component supports multiple architectures—seq2seq, biLSTM with attention, and Transformer—and allows extensive parameter sharing across languages to improve data efficiency. Training relies on denoising auto-encoding and back-translation, with on-the-fly, multithreaded generation of synthetic parallel data to continually refresh supervision signals. The project also provides scripts to fetch and preprocess monolingual data, learn BPE codes, and train cross-lingual embeddings that bootstrap unsupervised alignment between languages. Beyond the core EMNLP 2018 setup, the codebase exposes additional, optional capabilities such as multi-language training, language model pretraining with shared parameters, and adversarial training. -
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wttr.in
The right way to check the weather
wttr.in is a console-oriented weather forecast service that supports various information representation methods like terminal-oriented ANSI-sequences for console HTTP clients (curl, httpie, or wget), HTML for web browsers, or PNG for graphical viewers. Originally started as a small project, a wrapper for wego, intended to demonstrate the power of the console-oriented services, wttr.in became a popular weather reporting service, handling tens of millions of queries daily. -
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owfs and owhttpd
Project moved to https://github.com/owfs/owfs/
Please note that OWFS source code, and all Issue/Tickets/merge requests have now been moved to https://github.com/owfs/owfs/. Developer mailing lists will still be kept at Sourceforge. ---- OWFS -- 1-Wire file system. Use the Dallas 1-Wire and iButton chips with standard filesystem commands. Create temperature loggers. Monitor everything. OWHTTPD -- same system, only used as a light weight web server. OWFS is also ported to embedded routers, Mac OSX and Windows. Basically you can use these inexpensive little sensors and other chips with very simple wiring to sense and control the physical environment. The interface is very flexible -- everything from a web browser, to read and writing directly to the chip's "file" to integrating with your programs -- even over the internet. There is a growing number of 1-wire sensors: temperature, voltage, humidity, light, ultraviolet, pressure, thermisters, thermocouples, programmable microcontrollers, relays, lights, LCD panels, etc -
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RDKit
Open-Source Cheminformatics and Machine Learning
A collection of cheminformatics and machine-learning software written in C++ and Python. NOTE: the RDKit source code and downloads are now in github: https://github.com/rdkit/rdkit The core algorithms and data structures are written in C++. Wrappers are provided to use the toolkit from either Python or Java. Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and similarity searches. -
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An application programming (API) and graphical user interface (GUI) to facilitate the use of PENELOPE's program PENEPMA.
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GGI stands for "General Graphics Interface", and it is a project that aims to develop a reliable, stable and fast graphics system that works everywhere. We want to allow any program using GGI to run on any platform requiring at most a recompile.
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nmeasim
Simulate GPS+AIS sentences and send to a navigation SW
NMEASIM sends NMEA 0183 sentences to a navigation SW such as OpenCpn via a serial com port or a UDP channel. These NMEA sentences simulate data coming from a GPS(sentence $GPRMC...) and an AIS receiver(sentence !AIVDM...) All the parameters : name, mmsi, initial position (lat/long), COG, SOG for my boat as well as for AIS targets, and I/O configuration (com port...) can be edited in the 'datasimul.json' (file created by the app with default values in V1.0) Just Download the nmeasim.exe file (green button above) and launch it. Be patient for a few seconds if you have a slow PC! Go to the 'Files' tab to look at the readme file and download any additional file if needed. -
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A library of tools for doing computation in game theory.
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Gadgetron
Medical Image Reconstruction Framework
Medical Image Reconstruction Framework -
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An open source framework for LC-MS based proteomics and metabolomics. OpenMS offers data structures and algorithms for the processing of mass spectrometry data. The library is written in C++. Our source code and wiki lives on GitHub (https://github.com/OpenMS/OpenMS).
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MToolBox
A bioinformatics pipeline to analyze mtDNA from NGS data
MToolBox is a highly automated bioinformatics pipeline to reconstruct and analyze human mitochondrial DNA from high throughput sequencing data. MToolBox includes an updated computational strategy to assemble mitochondrial genomes from Whole Exome and/or Genome Sequencing (PMID: 22669646) and an improved fragment-classify tool (PMID:22139932) for haplogroup assignment, functional and prioritization analysis of mitochondrial variants. MToolBox provides pathogenicity scores, profiles of genome variability and disease-associations for mitochondrial variants. MToolBox provides also a Variant Call Format file (version 4.0) featuring, for the first time, allele-specific heteroplasmy. Please, check out the most recent updates of the source code with the Github repository of MToolBox: https://github.com/mitoNGS/MToolBox or visit the Web version of MToolBox @ MSeqDR: https://mseqdr.org/mtoolbox.php
