material-science

There are 102 repositories under material-science topic.

  • cp2k/cp2k

    Quantum chemistry and solid state physics software package

    Language:Fortran86237728388

  • rouyang2017/SISSO

    A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.

    Language:Fortran25076983

  • kjappelbaum/gptchem

    Language:Jupyter Notebook23492140

  • boschresearch/pylife

    a general library for fatigue and reliability

    Language:Python140124925

  • dftfeDevelopers/dftfe

    DFT-FE: Real-space DFT calculations using Finite Elements

    Language:C++12514536
  • mdapy

    mushroomfire/mdapy

    A simple and fast python library to handle the data generated from molecular dynamics simulations

    Language:Python61478

  • fspiga/qe-gpu

    GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN

    Language:Fortran5918022

  • CompRhys/aviary

    The Wren sits on its Roost in the Aviary.

    Language:Python4832612

  • pylada/pylada-light

    A physics computational framework for python and ipython

    Language:Python38113824
  • Fierro

    lanl/Fierro

    Fierro is a C++ code designed to aid the research and development of numerical methods, testing of user-specified models, and creating multi-scale models related to quasi-static solid mechanics and compressible material dynamics using low- and high-order meshes.

    Language:C++3471516

  • drcassar/glasspy

    Python module for scientists working with glass materials

    Language:Python286147

  • rshkarin/quanfima

    Quanfima (Quantitative Analysis of Fibrous Materials)

    Language:Python282616

  • alesgenova/pbcpy

    Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy

    Language:Python20501

  • mdavezac/Crystals.jl

    Atomic crystal structures for Julia

    Language:Julia19404

  • Gressling/examples

    Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020

    Language:Jupyter Notebook163019

  • nlesc-nano/swan

    Statistical models to predict new materials

    Language:Python145471

  • mcsorkun/V2DB

    V2DB (Virtual 2D Materials Database): the code for generating and predicting the novel 2D materials by virtual screening.

    Language:Python13108

  • romankempt/hetbuilder

    Builds 2D heterostructures via coincidence lattice theory.

    Language:Python122117
  • cp-paw

    cp-paw/cp-paw

    Main repository for the CP-PAW code

    Language:Fortran113106

  • materials-commons/materialscommons.org

    The Materials Commons website

    Language:JavaScript1081.4k1

  • odarbelaeze/vegas-lattice-rs

    Lattice generator library and tool in rust.

    Language:Rust82311

  • BlueQuartzSoftware/simplnx

    The backend algorithms and framework associated with DREAM3DNX, a data analysis program for materials science data analytics

    Language:C++721869

  • OpenChemistry/materialsdatabank

    An information portal for 3D atomic electron tomography data

    Language:JavaScript76364

  • marcosdelcueto/MachineLearning_AcceptorDonor

    Code allows the use of different machine learning methods to predict efficiency of organic photovoltaics using different descriptors

    Language:Python6113

  • ealcobaca/mlglass

    We share in this repository some codes and data used during our research about glass property prediction and the design of new glasses.

    Language:Jupyter Notebook5402

  • echaffey/Compysite

    Python library used to analyze fiber reinforced composite materials.

    Language:Python5201

  • KIST-CSRC/DenseSSD

    Machine vision for vial positioning detection toward the safe automation of material synthesis

    Language:Python5100

  • mecheng/mechmat

    Python package for the definition of materials used during mechanical engineering calculations

    Language:Python43254

  • MolarVerse/PQAnalysis

    PQAnalysis is a API/CLI python package for the analysis of MD simulations

    Language:Python42442

  • CederGroupHub/text2chem

    RegEx-based text parser that converts chemical terms and material entities into chemical datastructure.

    Language:Python3315

  • hitarth64/ReactionEnergyDiagram

    Tool to draw reaction energy diagrams, reaction energies and reaction energetics using Python and matplotlib

    Language:Python3200

  • JacobK233811/properplotter

    An interactive web app for bioplastic material properties data. We plot material properties for bioplastics properly

    Language:JavaScript3100

  • KIST-CSRC/BespokeSynthesisPlatform

    Bespoke Nanoparticle Synthesis and Chemical Knowledge Discovery Via Autonomous Experimentations

    Language:Python3000
  • phaseshifts

    Liam-Deacon/phaseshifts

    Calculate elastic electron atom scattering (EEAS) phase shifts in solid materials for LEED modelling

    Language:Assembly31241

  • lpolerecky/LANS

    A MATLAB-based program for processing and analysis of nanoSIMS data

    Language:MATLAB3100

  • vijaypurohit/wien2k

    This provides the files needed and detailed process (instructions) to install the wien2k 14.2 in Linux.

    Language:Shell3101