Search Results for "structural"
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Showing 27 open source projects for "structural"
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statsmodels
Statsmodels, statistical modeling and econometrics in Python
...Generalized linear models with support for all of the one-parameter exponential family distributions. Markov switching models (MSAR), also known as Hidden Markov Models (HMM). Vector autoregressive models, VAR and structural VAR. Vector error correction model, VECM. Robust linear models with support for several M-estimators. statsmodels supports specifying models using R-style formulas and pandas DataFrames. -
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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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NAVAL-SEM
Free offline SEM software with HTMT, bootstrapping & exports
...NAVAL-SEM also supports export to R, Python, and Lavaan for reproducible research workflows. Built for academic and professional research, NAVAL-SEM helps users conduct scale validation, measurement assessment, and structural modeling across disciplines including marketing, management, psychology, education, healthcare, and social sciences. Available for Windows, macOS, and Linux. -
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ANYstructure
GUI based steel structure calculation and optimization tool.
GUI based steel optimization tool for naval architects and structural engineers. Calculate and optimize the following: Minimum plate thickness (DNV/DNVGL-OS-C101) Minimum section modulus of stiffener/plate (DNVGL-OS-C101) Minimum shear area (DNVGL-OS-C101) Buckling (DNVGL-RP-C201) Fatigue for plate/stiffener connection (DNVGL-RP-C203) Compartments (tank pressures) are created automatically. -
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FEATool Multiphysics - FEA & CFD Toolbox
FEATool Multiphysics is an easy-to-use FEA and CFD Simulation Toolbox
...With a very easy-to-use GUI, anyone is now able to quickly set up and perform large scale dynamical and complex engineering physics simulations, with coupled fluid flow, heat transfer, structural mechanics, chemical transport, and electromagnetics effects, without having to learn complex programming. In addition to built-in CAD and pre/post-processing, automatic mesh generation, and multi-physics solvers, FEATool also seamlessly integrates the state-of-the-art OpenFOAM [1], SU2, and FEniCS CFD and FEA solvers. Moreover, native itegration with MATLAB and Python allows advanced simulation scripts and programmatic use cases such as in AI and machine learning [2]... -
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CAMPARI
Software for molecular simulations and trajectory analysis
We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and... -
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SBEVSL is a collaborative project between Dowling and RIT on the development of a Structural Biology Extensible Visualization Scripting Language, so that users can move freely among various molecular graphics tools, such as rasmol, pymol, raster3d, etc.
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2D Structural Analysis
Determine the bending moments, shear forces, axial forces and displace
2D Structural Analysis in Python by Ritchie Vink A collection examples of 2D Finite Element Analysis (FEA) made with Jupyter Notebook Lab - https://jupyter.org/ To install Jupyter - https://jupyter.org/install ===== App is available on Play Store -> https://play.google.com/store/apps/details?id=com.ulm.struct If you want to download a python editor for your android smartphone follow this link -> https://play.google.com/store/apps/details? -
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TI2BioP allows mainly the calculation of topological indices (spectral moments) derived from inferred and artificial 2D structures of DNA, RNA and proteins being possible to carry out a structure-function correlation irrespective of sequence alignments. TI2BioP version 3.0 is a python platform with a graphical interface designed for Windows, Linux and Mac OS.
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PBSuite
Software for Long-Read Sequencing Data from PacBio
...PBJelly fills or reduces as many captured gaps as possible to produce upgraded draft genomes. ----- PBHoney ----- Read The Paper http://www.biomedcentral.com/1471-2105/15/180/abstract PBHoney is an implementation of two variant-identification approaches designed to exploit the high mappability of long reads (i.e., greater than 10,000 bp). PBHoney considers both intra-read discordance and soft-clipped tails of long reads to identify structural variants. -
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Biskit is a python library for structural bioinformatics research. It simplifies the analysis of macromolecular structures, protein complexes, and molecular dynamics trajectories and offers a platform for the rapid integration of external programs. PLEASE NOTE: The Biskit source code as well as any later releases are now hosted on https://github.com/graik/biskit The sourceforge repo is only kept here for reference.
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Hydroponic Automation Platform (HAPI)
Technologies for automating food production on various scales
The Hydroponic Automation Platform Initiative (HAPI) develops and provides hardware and software components for automating food production using hydroponic, aquaponics, and precision agriculture techniques. High-yield production in urban settings is one of the primary goals. Artifacts include hardware design (mainly Arduino-based), firmware, management software and reporting modules. -
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xPyder PyMOL Plugin
Analyze and visualize coupled residues and their networks in proteins
...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. -
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SPADE
A toolkit for developing and deploying protein structure algorithms.
The Structural Proteomics Application Development Environment is a Python tool kit for developing and deploying bioinformatics applications. Handles graphics, analysis, and modeling of protein sequence and structure. Source and Win installers available. SPADE source code can be cloned from http://www.github.com/deaconjs/SPADE. -
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A functional-structural model of tree growth based on carbon partitioning among individual organs that compete for resources.
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Chemical Reaction
Balance chemical reaction and compute material balance
This Python program is used to balance a chemical reaction and to compute the material balance. Furthermore, it's able to check molecules and to write the condensed strutural formula from the name of an organic molecule. (Those both functionalities are still limited.) -
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ParaSim
Parallelized calculation of molecular similarities
...As as special feature, ParaSim allows to store and and to access frequently queried datasets as persistant objects in memory for short response times. ParaSim calculates chemical similarities based on binary structural fingerprints. It does not compute fingerprints by itself but relies on third party software to do so. Basically, all types of structural fingerprints which can be stored in an array of bits (a bitset) can be used by ParaSim. See the Wiki (https://sourceforge.net/p/parasim/wiki/Documentation/) for detailed documentation. FEEDBACK HIGHLY APPRECIATED! -
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pyTruss
Simple 3D Structural Analysis
Basic 3D structural analysis in python. GUI allows building simple 3D shapes, applying static loads and monitoring dynamic load on beams. Based on OpenGL and ODE. -
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ContBeam is a program capable of solving structural configurations of continuous beams on multiple supports. it handles conditions and load combinations provide being output characteristics of the stress and deformation of the structure
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MBDyn_sim_suite is a collection of free pre&post-processing tools and simulation models for the open-source multi-body analysis software MBDyn forming a general purpose simulation environment for structural dynamics with an emphasis on wind turbines.
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Small Python programs for the structural designer / Pequeños programas para el diseñador de estructuras hechas en Python
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Wattos is a collection of mostly Java programs for Structural Biology and NMR Spectroscopy. It's programs analyze, annotate, parse, archive, and disseminate experimental NMR data deposited by authors world wide into the PDB and BMRB.
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SureFit generates 3D mesh surfaces (in VTK and Caret formats) from 3D structural MRI volumes (in formats such as Analyze, AFNI, raw).
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PySDB is simple to use field data manager for structural geologists written in Python. Data are traditionally organized by sites and rock units, classified by structural types and could be freely tagged by user-defined labels.
