Open Source Python Scientific/Engineering Software - Page 9
Sort By:
Python Scientific/Engineering Software
View 200 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.
-
Gemini 3 and 200+ AI Models on One PlatformBuild generative AI apps with Vertex AI. Switch between models without switching platforms.
-
Try Google Cloud Risk-Free With $300 in CreditUse your credit across every product. Compute, storage, AI, analytics. When it runs out, 20+ products stay free. You only pay when you choose to.
-
1
RELEASE NOTE: Get raxmlGUI 2.0 at the NEW PROJECT LOCATION: https://antonellilab.github.io/raxmlGUI/ raxmlGUI is a graphical user interface to RAxML, one of the most popular and widely used software for phylogenetic inference using maximum likelihood. A userfriendly graphical front-end for phylogenetic analyses using RAxML (Stamatakis, 2006). Please cite: Silvestro, Michalak (2012) - raxmlGUI: a graphical front-end for RAxML. Organisms Diversity and Evolution 12, 335-337. DOI: 10.1007/s13127-011-0056-0
-
2
xPyder PyMOL Plugin
Analyze and visualize coupled residues and their networks in proteins
xPyder is a PyMOL plugin to analyze and visualize on the 3D structure dynamical cross-correlation matrices (DCCM), linear mutual information (LMI), communication propensities (CP), intra- and inter-molecular interactions (e.g. PSN), and more, to produce highly customizable publication-quality images. xPyder identifies networks (using concepts from graph theory, such as hubs and shortest path searching), compares matrices and focuses the analysis on relevant information by filtering the data using a modular, user-expandable plugin system that takes advantage of structural and dynamical information, contributing to bridge the gap between dynamical and mechanical properties at the molecular level. -
3
Chemical Trajectory Analyzer
A software package for processing and analyzing chemical trajectories
ChemTraYzer creates reaction models from molecular dynamics simulations. It's available as open software (MIT license). Please find a full description @ https://www.ltt.rwth-aachen.de/cms/LTT/Forschung/Forschung-am-LTT/Model-Based-Fuel-Design/Aktuelle-Projekte/~kqbf/ChemTraYzer/lidx/1 M.Döntgen, M.-D.Przybylski-Freund, L.C.Kröger, W.A.Kopp, A.E.Ismail, K.Leonhard, "Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations", J. Chem. Theory Comput. 11 (2015), 2517-2524 L.C.Kröger, W.A.Kopp, M.Döntgen, K.Leonhard, "Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations", J. Chem. Theory Comput. 13 (2017), 3955-3960 M.Döntgen, F.Schmalz, W.A.Kopp, L.C.Kröger, K.Leonhard, "Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations", J. Chem. Inf. Model. 58 (2018), 1343-1355 Check the Wiki for bug reports and fixes. -
4
NanoCap
Carbon Fullerene and Capped Nanotube Generator
NanoCap is a generic application for the construction of low energy fullerene and capped nanotube structures. It provides an ideal tool to accompany the study of finite carbon molecules using computer simulation. The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include the structure generation routines into pre-existing code. -
Forever Free Full-Stack Observability | Grafana CloudBuilt on open standards like Prometheus and OpenTelemetry, Grafana Cloud includes Kubernetes Monitoring, Application Observability, Incident Response, plus the AI-powered Grafana Assistant. Get started with our generous free tier today.
-
5
MayaVi is a free, cross platform, easy to use scientific data visualizer. It provides a GUI to ease the visualization process, is written in Python and uses the Visualization Toolkit (VTK) for the graphics.
-
6
The Player Project: Player is a networked interface to robots and sensors. Stage and Gazebo are Player-friendly multiple-robot simulators. The software aims for POSIX compliance and runs on most UNIX-like OS's. Some parts also work on Windows.
-
7
LaueTools
open source python packages for X-ray MicroLaue Diffraction analysis
LaueTools is an open-source project for white beam Laue x-ray microdiffraction data analysis including tools in image processing, peaks searching & indexing, crystal structure solving (orientation & strain) and data & grain mapping visualisation. Python 3 Code and new features are now at: https://gitlab.esrf.fr/micha/lauetools -
8
Moved to https://github.com/rdiankov/openrave An open-source, cross-platform, plugin-based robot planning environment for autonomous robotics. Includes services like collision detection, physics, (inverse) kinematics, sensors, robot controls, python bindings, and a network scripting environment.
-
9
SciEnPlot
Data Plotting and Analysis for Science and Engineering
- Save and open a Work/Project (spf) file - Single fitting/ Batch fitting (user defined custom func) - Matrix to XYZ in Tool menu - Symbol plot: makers, curve, landscape, bar, etc. - Implemented a 3d surface plot (GLSurface) based on OpenGL (ScienPlot v1.3.2 and above) - ColorMap surface, trisurface, Pie, Polar plots, and 3D height field, 3dBar, scatter plots (under developing), and more - Column by column plotting/calculation - LaTex commands enclosed by $ symbols can be used for the labels in Graph - Accept txt(Text) and csv(Comma separated values) formatted data - Save, copy, print Graph - Use spread sheets to display data - Textboard to organize the results - Graphs in a publishable quality - Source codes based on: Python Numpy Scipy Matplotlib WxPython Visvis etc. - Special functions - Drag and drop data files - Python console is back (since v1.3.3), capable of reusing column data - Debye and Guinier models for SANS / SAX data - More apps in our Web below -
Earn up to 16% annual interest with Nexo.Generate interest, access liquidity without selling, and execute trades seamlessly. All in one platform. Geographic restrictions, eligibility, and terms apply.
-
10
openGPR is a framework for the management, processing and 2D/3D-visualization of ground penetrating radar (GPR, georadar) data. It interoperates with existing tools like Seismic Unix, with a special focus on georadar applications.
-
11
Geophar
Le couteau suisse du prof de maths
Calculatrice graphique avancée en français, destinée aux professeurs ou aux étudiants du collège et du lycée. Elle permet de faire du calcul approché, de tracer des courbes et des figures géométriques exportables en png, eps, pdf ou svg. Linux, Windows, Mac. Elle contient également un outil pour générer très facilement des tableaux de variations et de signes en LaTeX. -
12
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. -
13
Open source steam property routines in C. Implements the IAPWS-IF97 steam tables from the International Association for the Properties of Water and Steam. Includes two-way property solvers and test suite. Can be used from C/C++, Fortran, Python, LabVIEW, Octave and ASCEND.
-
14
openModeller is a complete C++ framework for species potential distribution modelling. The project also includes a graphical user interface, a web service interface and an API for Python.
-
15
Airborne Data Processing and Analysis
Software to processing and analyze of airborne measurements.
The Airborne Data Processing and Analysis (ADPAA) package is an open-source software package containing a collection of programs and scripts to process and analyze data from in-situ instruments deployed on airborne platforms. The ADPAA package was started to process data on the North Dakota Citation Research Aircraft but has been used to process data on many airborne platforms. The software methodology used in ADPAA is provided in the peer-review publication: Delene, D. J., Airborne Data Processing and Analysis Software Package, Earth Science Informatics, 4(1), 29-44, 2011, URL: http://dx.doi.org/10.1007/s12145-010-0061-4, DOI: 10.1007/s12145-010-0061-4. -
16
CircuiTikZ Generator
This software is a tool for designing electronic circuits using LaTeX.
This software is a tool for designing electronic circuits using LaTeX. With an intuitive graphical interface, you can create complex circuits quickly and easily, while the LaTeX code generator translates your designs into code compatible with the LaTeX circuitikz library. -
17
Gnuplot Editor
Interactive gnuplot script editor
Ever needed to tweak a gnuplot script and got annoyed by constantly changing the script file, run gnuplot and display the resulting image? The gnuplot editor generates a preview of the plot for every change you make and quickly allows to show the created image file with a simple keystroke. Lines with errors are highlighted in the code and gnuplot output is shown in a separate widget. In addition it features all basic editor options, syntax highlighting and menu macros for often used gnuplot options. The program is written in python (works with 2 and 3) with a Qt4 user interface, which makes it platform independent (tested in Linux, OS X 10.7 and Windows XP). You must have gnuplot installed to run this program. The debian package was build with Ubuntu 12.10. -
18
MSTParser
MSTParser is a non-projective dependency parser that searches for maxi
MSTParser is a non-projective dependency parser that searches for maximum spanning trees over directed graphs. Models of dependency structure are based on large-margin discriminative training methods. Projective parsing is also supported. mstparser 0.5.1 is now available via Maven Central. If you use Maven as your build tool, then you can add it as a dependency in your pom.xml file: <dependency> <groupId>net.sourceforge.mstparser</groupId> <artifactId>mstparser</artifactId> <version>0.5.1</version> </dependency> -
19
-
20
This project, developed at UCL London, provides code for tomographic reconstruction. NiftyRec is written in C and has Python and Matlab extensions. Computationally intensive functions have a GPU accelerated version based on CUDA.
-
21
Digraph3
A collection of python3 modules for Algorithmic Decision Theory
This collection of Python3 modules provides a large range of implemented decision aiding algorithms useful in the field of outranking digraphs based Multiple Criteria Decision Aid (MCDA), especially best choice, linear ranking and absolute or relative rating algorithms with multiple incommensurable criteria. Technical documentation and tutorials are available under the following link: https://digraph3.readthedocs.io/en/latest/ The tutorials introduce the main objects like digraphs, outranking digraphs and performance tableaux. There is also a tutorial provided on undirected graphs. Some tutorials are problem oriented and show how to compute the winner of an election, how to build a best choice recommendation, or how to linearly rank or rate with multiple incommensurable performance criteria. Other tutorials concern more specifically operational aspects of computing maximal independent sets (MISs) and kernels in graphs and digraphs. -
22
PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.
-
23
RetroScheme- Get Your Retrosynthesis
- RetroScheme is used for molecule sketching and retrosynthesis
RetroScheme was specifically designed to help Chemists in knowing potential starting material through retrosynthetic analysis. The App is basically a GUI wrapper for the library Aizynthfinder from Astrazeneca.. - The App is coupled with molecular sketching tool to sketch your compound - This was made to be easy for the user and can be used endlessly to assist in potential new drug synthesis -
24
SIREN
Renewable Energy Network tool
SIREN demonstrates how electricity demand may be met by a mix of renewable energy sources. Users explore potential location and scale of renewable energy sources (stations, storage, transmission) to meet electricity demand. SIREN allows you to build scenarios for the energy mix for your area of interest. It is based around the map of your chosen area and allows you to visualise the layout of the existing electricity network plus the additional stations you place on the map to build your scenario(s). The map initially shows the main skeleton of the existing electricity grid infrastructure and current generation stations. The strength of the simulation is in running the SAM models developed by US NREL for each renewable station in your current simulation. SAM calculates a list of power outputs for each hour of the year and shows how they meet the electricity demand and identify generation shortfalls. Weather files created from NASA (MERRA2) satellite data make it applicable worldwide -
25
Spectral-SpecPro
Spectral - software for manipulating optical spectroscopy data
Spectral-SpecPro helps with the manipulation of optical spectroscopy data. Spectral takes files produced by Jasco instruments (uv-vis absorbance, fluorescence, circular dichroism readings as a function of wavelength, temperature, or time) and facilitates basic operations such as unit conversion (CD spectra), conversion into the format taken by CDPro (estimation of secondary structure; CD spectra), scatter correction (absorbance spectra), smoothing, re-sampling of the x-axis, and generic combination (sum, product, average, standard deviation) of multiple curves. Spectral-SpecPro is based on earlier software written by Stephen R Martin (MRC-NIMR London NW7 and Francis Crick Institute London NW1).
