Search Results for "structure"
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Showing 82 open source projects for "structure"
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OpenFermion
The electronic structure package for quantum computers
...Among other functionalities, this version features data structures and tools for obtaining and manipulating representations of fermionic and qubit Hamiltonians. For more information, see our release paper. Currently, OpenFermion is tested on Mac, Windows, and Linux. We recommend using Mac or Linux because the electronic structure plugins are only compatible on these platforms. However, for those who would like to use Windows, or for anyone having other difficulties with installing OpenFermion or its plugins, we have provided a Docker image and usage instructions in the docker folder. The Docker image provides a virtual environment with OpenFermion and select plugins pre-installed. ... -
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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. ... -
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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! -
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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. -
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AlohaMini
Open-Source Dual-Arm Mobile Robot with Motorized Lift
AlohaMini is a lightweight self-hostable productivity and note-taking platform designed to help individuals organize thoughts, tasks, and knowledge in a fast, minimal interface that avoids unnecessary complexity. It combines hierarchical notebooks, rich text editing, and tagging, allowing users to structure information the way they think and refine that structure over time. The platform focuses on speed and responsiveness, with a UI that loads instantly and feels smooth even on modest hardware, making it ideal for both desktop and small server deployments. AlohaMini also supports internal linking between notes, enabling a web-like connected knowledge space that grows organically as users create and connect ideas. ... -
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Open X-Embodiment
Unified open dataset enabling cross-embodiment learning for robotics
Open X-Embodiment is a large-scale collaborative initiative led by Google DeepMind to unify robotic learning datasets into a consistent and standardized format, simplifying access and usage across the robotics research community. Its primary goal is to make all available open-source robotic data interoperable by representing them using the RLDS (Reinforcement Learning Dataset Structure) episode format. This enables seamless integration for training, evaluation, and model development across diverse robotic tasks and embodiments. The dataset aggregates contributions from multiple open-source robotic projects, all harmonized under a single unified data schema. The repository also provides Colab notebooks for dataset visualization, batching, and model inference, along with pretrained model checkpoints such as RT-1-X, a multitask robotic transformer model trained on this data. -
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CycleGAN and pix2pix in PyTorch
Image-to-Image Translation in PyTorch
CycleGAN and pix2pix in PyTorch repository is a PyTorch implementation of two influential image-to-image translation frameworks: CycleGAN (for unpaired translation) and pix2pix (for paired translation). This repo gives developers and researchers a convenient, modern (PyTorch-based) platform to train and test these methods — supporting both paired datasets (input to output) and unpaired datasets (domain-to-domain) with minimal changes. The code supports standard training and inference... -
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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. Pressures on external hull (or any other generic location) is defined by specifying... -
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ChemCanvas
Chemical structure drawing tool
This is targeted to be the most intuitive opensource 2D chemical drawing tool. You can draw organic chemical structures and reactions very easily and quickly. Available to download for Windows and Linux (AppImage, Flatpak, Snap) -
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CAIRO for AERMOD
AERMOD, visualisation, input, modelling and compiling tool
...Features: Automatic input by copying coordinates (Google Maps or text) and automatic conversion to UTM. Sources are automatically visualised in Google Earth. Input is done through user interface and automatically compiled into correct syntax and project/file structure. Windows application, supports up to 3 averaging periods, maxtable, maxifile, rankfile and plotfile. Elevation and meteorological data is third party. CAIRO for AERMOD (Compile AERMAP, AERMOD and AERPLOT Input and Run Output) aimed at streamlining the process of making complex input file, with unique syntax and running them. ... -
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DAE Tools Project
Object-oriented equation-based modelling and optimisation software
DAE Tools is a cross-platform equation-based object-oriented modelling, simulation and optimisation software. It is not a modelling language nor a collection of numerical libraries but rather a higher level structure – an architectural design of interdependent software components providing an API for: - Model development/specification - Activities on developed models, such as simulation, optimisation, sensitivity analysis and parameter estimation - Processing of the results, such as plotting and exporting to various file formats - Report generation - Code generation, co-simulation and model exchange The following class of problems can be solved by DAE Tools: - Initial value problems of implicit form - Index-1 DAE systems - With lumped or distributed parameters - Steady-state or dynamic - Continuous with some elements of event-driven systems -
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FEATool Multiphysics - FEA & CFD Toolbox
FEATool Multiphysics is an easy-to-use FEA and CFD Simulation Toolbox
FEATool Multiphysics (https://www.featool.com) is a fully integrated toolbox for computer aided engineering CAE, finite element analysis & fluid dynamics simulations. 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... -
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DataPrep
Python-based data preprocessing tool
DataPrep v0.2 is a Tkinter-based GUI application/tool designed to assist users in data preprocessing, multicollinearity removal, and feature selection for a wide range of applications in Cheminformatics, Bioinformatics, Data Analysis, Feature Selection, Molecular Modeling, Machine Learning, and Quantitative-structure-property relationship (QSPR) studies. It includes functionality to load, process, and save datasets with support for different preprocessing & multicollinearity removal strategies with customizable parameter setting options. -
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SDF Merger
Desktop application for merging multiple SDF files into a single SDF
...Chemistry Library: RDKit for chemical data processing 4. File Formats: Input/Output in SDF format Citation Md. Ismiel Hossen, A. (2026). SDF Merger: A Desktop and Web Tool for Merging Chemical Structure Data Files (v1.1). Zenodo. https://doi.org/10.5281/zenodo.18291398 -
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Fosite - advection problem solver
numerical simulation code for solving transport equations in 1D/2D/3D
...In addition to the pure advection code several source terms have been implemented including viscous diffusion and gravitational acceleration. Fosite is written with object-oriented patterns in Fortran 2003 and follows the Structure of Arrays (SoA) layout, operating on generic field datatypes. This allows for high performance on modern architectures (SIMD). It is parallelized and vectorized. The software is thereby optimized for the NEC SX-Aurora TSUBASA Vector Engine . -
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CemCon
Automated SMILES-to-optimized 3D molecular structure converter
CemCon is a desktop application developed for automated batch conversion of SMILES strings into optimized 3D molecular structures. The software is designed to simplify ligand preparation workflows for molecular docking, virtual screening, molecular dynamics simulations, and other Computer-Aided Drug Design (CADD) applications. Developed by Abhijit Reang and Sandip Das under the supervision of Dr. Arabinda Ghosh, Department of Molecular Biology and Bioinformatics, Tripura University,... -
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PQS
Petoron Quantum Standard (PQS)
...BLAKE2s-MAC authentication - 16-byte tag, any modification = instant rejection. Streaming keystream generator - secure, large-scale XOR without key reuse. Fake padding (HEAD/TAIL) - obfuscates binary boundaries and payload structure. Precise size encoding - restores original payload exactly. Supports files up to 128 MB per encrypted block. No dependencies, fully offline, cross-platform Python implementation. PQS is designed for high-assurance security, full auditability, and deterministic offline use - without unnecessary complexity. https://github.com/01alekseev/PQS -
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Translation Agent
Agentic translation using reflection workflow
...Instead of asking a language model for a single direct translation, it first generates a translation, then asks the model to critique it, and finally uses that critique to produce a stronger version. This structure makes the system more steerable than a traditional translation pipeline. Users can adjust prompts to control tone, formality, terminology, idiom handling, and regional language choices. The project includes example scripts and a simple Python interface for translating between source and target languages. It is useful for researchers, developers, and localization teams exploring how LLM-based workflows can produce better, more customizable translations. -
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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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PSSPT
PSSPT (Protein Secondary Structure Prediction Tool)
PSSPT (Protein Secondary Structure Prediction Tool) Please, visit our GitHub page for more detail. -
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Argo
ARGO is a program for analysis of electronic structure calculations
The `Argo' program draws its name from ancient Greek, referencing the vessel of the same name commissioned for Jason's renowned Argonauts expedition. This choice symbolizes the pursuit of making the best use of quantum chemical calculation results. ARGO facilitates the analysis of results obtained from quantum chemistry codes, specifically Gaussian. This task is achieved through a set of Python scripts. Our code is freely available throughout the academic community with the ambition to... -
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DBRplot
Plots reflectivity response of Distributed Braggs Reflector mirrors
A free windows software for designing and modelling of dielectric anti-reflection coating and Fabry-Perot cavity effects based on Distributed Braggs Reflector (DBR) mirrors. Read 'readme.txt' file before you use this application. Also, have a look at the "Fabry-Perot cavity" diagram to get a feel of the structure of your cavity. The code is written based on the Transfer Matrix Method for TE incidence. Clever insertion of the input parameters in the GUI will let you simulate the reflectivity response of many physical systems on a substrate such as various DBR mirror cavities and DBR mirrors. The future release includes: 1. Complete flexibility on the cavity thickness 2. ... -
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miRPV
miRPV: An automated pipeline for miRNA Prediction and Validation in si
miRPV is an Automated tool that allows users to predict and validate microRNA from genome/gene sequence. System Requirement CPU: AMD64 (64bit) Memory: 2Gb RAM Storage: 5Gb Ubuntu 18.04 -
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geostd is an open-source set of restraints for molecules involved in macromolecular structure refinement. The restraints reduce the number of variables making the solution of protein structures a more tractable process.
