Search Results for "open 3d qsar"
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Showing 127 open source projects for "open 3d qsar"
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PoseidonQ - AI/ML Based QSAR Modeling
ML based QSAR Modelling And Translation of Model to Deployable WebApps
- This Software was made with an intention to make QSAR/QSPR development more efficient and reproducible. - Published in ACS, Journal of Chemical Information and Modeling . Link : https://pubs.acs.org/doi/10.1021/acs.jcim.4c02372 - Simple to use and no compromise on essential features necessary to make reliable QSAR models. - From Generating Reliable ML Based QSAR Models to Developing Your Own QSAR WebApp. For any feedback or queries, contact kabeermuzammil614@gmail.com - Available on... -
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Blender GIS
Blender addons to make the bridge between Blender and geographic data
Import in Blender most commons GIS data format, Shapefile vector, raster image, geotiff DEM, OpenStreetMap XML. There are a lot of possibilities to create a 3D terrain from geographic data with BlenderGIS, check the Flowchart to have an overview. Display dynamics web maps inside Blender 3d view, requests for OpenStreetMap data (buildings, roads, etc.), get true elevation data from the NASA SRTM mission. Manage georeferencing information of a scene, compute a terrain mesh by Delaunay... -
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OctoPrint
OctoPrint is the snappy web interface for your 3D printer
Control and monitor every aspect of your 3D printer and your printing jobs right from within your browser. OctoPrint's powerful plugin system allows extending its functionality with awesome plugins from the community. Free and open source software released under the Affero General Public License (AGPL). Control and monitor every aspect of your 3D printer and your printing jobs right from within your browser. -
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Vedo
A python module for scientific analysis of 3D data
A lightweight and powerful python module for scientific analysis and visualization of 3d objects. Inspired by the vpython manifesto "3D programming for ordinary mortals", vedo makes it easy to work with 3D pointclouds, meshes and volumes, in just a few lines of code, even for less experienced programmers. vedo is based on VTK and numpy, with no other dependencies. Import meshes from VTK format, STL, Wavefront OBJ, 3DS, Dolfin-XML, Neutral, GMSH, OFF, PCD (PointCloud). Export meshes as ASCII... -
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Newton
An open-source, GPU-accelerated physics simulation engine
Newton is a high-performance, GPU-accelerated physics simulation engine designed primarily for robotics research, machine learning, and advanced simulation workflows. Built on top of NVIDIA Warp, it leverages GPU parallelism to deliver scalable and efficient simulation environments that support rapid iteration and experimentation. The engine extends previous simulation frameworks by introducing differentiable physics capabilities, allowing it to integrate seamlessly with machine learning... -
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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... -
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Segments.ai
Segments.ai Python SDK
Multi-sensor labeling platform for robotics and autonomous vehicles. The platform for fast and accurate multi-sensor data annotation. Label in-house or with an external workforce. Intuitive labeling interfaces for images, videos, and 3D point clouds (lidar and RGBD). Obtain segmentation labels, vector labels, and more. Our labeling interfaces are set up to label fast and precise. Powerful ML assistance lets you label faster and reduce costs. Integrate data labeling into your existing ML... -
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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. -
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HomeRobot
Mobile manipulation research tools for roboticists
...It provides interfaces for Detic, Grounded-SAM, and Contact-GraspNet, allowing open-vocabulary detection and 3D grasping. -
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PyTorch Geometric
Geometric deep learning extension library for PyTorch
It consists of various methods for deep learning on graphs and other irregular structures, also known as geometric deep learning, from a variety of published papers. In addition, it consists of an easy-to-use mini-batch loader for many small and single giant graphs, a large number of common benchmark datasets (based on simple interfaces to create your own), and helpful transforms, both for learning on arbitrary graphs as well as on 3D meshes or point clouds. We have outsourced a lot of... -
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FreeCAD
a parametric 3D CAD modeler
This is an official mirror of FreeCAD. Code and release files are primarily hosted on https://github.com/FreeCAD/FreeCAD and mirrored here. FreeCAD is a general purpose feature-based, parametric 3D modeler for CAD, MCAD, CAx, CAE and PLM, aimed directly at mechanical engineering and product design but also fits a wider range of uses in engineering, such as architecture or other engineering specialties. It is 100% Open Source and extremely modular, allowing for very advanced extension and customization. FreeCAD is based on OpenCasCade, a powerful geometry kernel, features an Open Inventor-compliant 3D scene representation model provided by the Coin 3D library, and a broad Python API. ... -
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PyRx - Virtual Screening Tool
Virtual Screening software for Computational Drug Discovery
PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes... -
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dxf2gcode
DXF2GCODE: converting 2D dxf drawings to CNC machine compatible G-Code
DXF2GCODE is a tool for converting 2D (dxf, pdf, ps) drawings to CNC machine compatible GCode. Windows, Linux, and Mac support by using python scripting language. -
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jif3d
3D Joint Inversion Framework
jif3d is a framework for joint inversion of different types of geophysical data in 3D. It currently comprises forward solvers for first arrival traveltimes, scalar and tensor gravity data, magnetics, magnetotellurics, electrical resistivity tomography and surface waves.The framework is flexible in terms of the coupling approach between the different datasets. At the moment cross-gradient coupling, variation of information and deterministic parameter relationships are implemented. Other... -
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Asymptote
2D & 3D TeX-Aware Vector Graphics Language
Asymptote is a powerful descriptive vector graphics language for technical drawing, inspired by MetaPost but with an improved C++-like syntax. Asymptote provides for figures the same high-quality typesetting that LaTeX does for scientific text. -
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gVirtualXRay
Virtual X-Ray Imaging Library on GPU
gVirtualXRay is a C++ library to simulate X-ray imaging. It is based on the Beer-Lambert law to compute the absorption of light (i.e. photons) by 3D objects (here polygon meshes). It is implemented on the graphics processing unit (GPU) using the OpenGL Shading Language (GLSL). SimpleGVXR is a smaller library build on the top of gVirtualXRay. It provides wrappers to Python, R, Ruby, Tcl, C#, Java, and GNU Octave. -
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GrainSizeTools script
A Python script for estimating the grain size from thin sections
Homepage & docs: http://marcoalopez.github.io/GrainSizeTools/ GrainSizeTools is a free, open-source, cross-platform script written in Python that provides several tools for (1) estimating average grain size in polycrystalline materials, (2) characterizing the nature of the distribution of grain sizes (either from apparent distributions or approximating 3D grain size distributions via stereology), and estimating differential stress via paleopizometers. -
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Code_TYMPAN
Open source software calculating industrial noise in the environment
Code_TYMPAN™ is an open source software for calculating industrial noise in the environment. It allows dealing with 3D realistic geometries and has a convenient Human Machine Interface to help engineers to build 3D models and to achieve analysis needed in environmental noise studies. Code_TYMPAN™ allows developing your own calculation method from basic components and geometrical solvers. -
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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 -... -
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FFTW++ is a C++ header class for the FFTW Fast Fourier Transform library that automates memory allocation, alignment, planning, wisdom, and communication on both serial and parallel (OpenMP/MPI) architectures. In 2D and 3D, hybrid dealiasing of convolutions substantially reduces memory usage and computation time. Wrappers for C, Python, and Fortran are included.
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OdooPLM
A Full PLM system based on odoo
OdooPLM is an Open Source Odoo Application that allows you to manage PLM Data inside Odoo. You can upload data from the most common commercial CAD systems directly to Odoo with a unique and easy to use interface. Our approach, very quick, ready to use, is very useful for all companies that wants useful and powerful tools. You can install PLM module and its Client without any cost, touching the quality of our product in your real work environment. Official OdooPLM... -
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ThanCad is a 2dimensional cad, with limited 3d support and raster inclusion capability and emphasis in engineering. It is being written in Python and since it uses the Tkinter library, it is platform independent.
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LabRPS
Random phenomena generator
This is an official mirror of LabRPS. Code and release files are primarily hosted on https://github.com/LabRPS/LabRPS and mirrored here LabRPS aims to be a tool for the numerical simulation of random phenomena such as stochastic wind velocity, seismic ground motion, sea surface ... etc. It can be in a wide range of uses around engineering, such as random vibration or vibration fatigue in mechanical engineering, buffeting analysis in bridge engineering.... LabRPS is mainly to assist... -
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Fosite - advection problem solver
numerical simulation code for solving transport equations in 1D/2D/3D
Fosite is a generic framework for the numerical solution of hyperbolic conservation laws in generalized orthogonal coordinates. Its main purpose is the simulation of compressible flows in accretion disks. The underlying numerical solution method belongs to the family of unsplit conservative finite volume TVD schemes. The method is 2nd order accurate in space and uses high order Runge-Kutta and multistep schemes for time evolution. In addition to the pure advection code several source terms... -
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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,...
