Search Results for "materials science"
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Showing 14 open source projects for "materials science"
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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,... -
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The Missing Semester
The Missing Semester of Your CS Education
...Lessons dig into practical topics such as environment management, job control, shell pipelines, profiling, and reproducibility, with an emphasis on habits that save time and prevent errors. The materials are designed to be approachable for beginners yet still valuable to advanced users who want to sharpen their tooling. By the end, learners can work faster and more reliably because they understand the mechanics of their everyday tools. -
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DeepChem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, etc
DeepChem aims to provide a high-quality open-source toolchain that democratizes the use of deep learning in drug discovery, materials science, quantum chemistry, and biology. DeepChem currently supports Python 3.7 through 3.9 and requires these packages on any condition. DeepChem has a number of "soft" requirements. If you face some errors like ImportError: This class requires XXXX, you may need to install some packages. Deepchem provides support for TensorFlow, PyTorch, JAX and each requires an individual pip Installation. ... -
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Avogadro
An intuitive molecular editor and visualization tool
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture. -
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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... -
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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. The script requires as the input the... -
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MaxFEM
Software for electromagnetic simulation
MaxFem is an open software package for electromagnetic simulation by using finite element methods. The package can solve problems in electrostatics, direct current, magnetostatics and eddy-currents. Since version 0.4.0, MaxFEM requires Python 3. We have moved the installers to the MaxFEM website (see below). In order to improve MaxFEM, we will require you to fill out a simple form before downloading them. -
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OpenNum
OpenNum lets you distribute solvers with a nice graphical interface
Typically, to program a GUI is time consuming and requires experience with graphic libraries. OpenNum lets you create a graphical interface adapted to your solvers by simply editing an XML configuration file. More specifically, OpenNum lets you · to collect a hierarchical dataset, · to call any executable file and · to visualize scalar and vector fields, plot graphs or show simple plain text files. It also has other useful utilities specifically designed for numerical... -
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Awesome Math
This is the Curriculum for "How to Learn Mathematics Fast"
This repository is a curated roadmap for learning the core mathematics used in computer science, machine learning, and data science without getting lost in unnecessary detours. It organizes topics like algebra, calculus, linear algebra, probability, and statistics into a pragmatic sequence that favors intuition and problem-solving over purely formal proofs. The materials emphasize short, high-leverage resources—video lectures, concise notes, and hands-on exercises—that help you build momentum quickly. ... -
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Composight is a cross-platform toolkit for 3D-image processing in the domain of composite materials science. It is written in C++ and provides small, problem-specific applications for viewing, filtering and segmentation of volumetric data such as micro-CT scans. The main objective is not to provide yet another complex application for volume data visualization and medical image processing. Instead, Composight is a collection of small and simple apps that have already been successfully used to solve various problems in materials science.
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FABS
Fluorescence and absorption spectroscopy made easy
FABS is a program designed to run a fluorescence/absorption spectrometer on Windows. The program analyzes spectra and provides graphs and data files. Users may choose to input video files from cell phones or other cameras, still images, or even live streams of video from webcams. FABS can perform any necessary calibration and image preprocessing. Experienced users have a number of more advanced options such as background subtraction, adjustments for nonlinearities in detector response,... -
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A plug-in for Abaqus FEA with empiric data for many types of materials (linear, nonlinear, ortotropic). A simple GUI for creating properties for common materials and sections for bulk and shells.
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MRCWA - Multilayer Rigorous Coupled Wave Analysis is a fast, flexible optical grating solver. It calculates an exact solution to the Maxwell equations for the diffraction of light from an optical grating with arbitrary profile and materials.
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hemcuveGUI
hemcuveGUI is a graphical interface for HEMCUVE++
hemcuveGUI is a graphical interface for HEMCUVE++ (see http://tsc.unex.es/~llandesa/page17/page17.html). More specifically, hemcuveGUI lets you · to collect all the data required by HEMCUVE++, · to manage a materials database, · to call the external executable HEMCUVE++ and · to visualize its results.
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