Asureda

Asureda's Stars

• MartinWenge/LectureWKMBP2020

  Lecture material for the TU Dresden course "Numerics and computer simulations in soft condensed matter"

  Language:Jupyter Notebook75

• atomistic-machine-learning/schnetpack

  SchNetPack - Deep Neural Networks for Atomistic Systems

  Language:Python814218

• ICB-DCM/pyPESTO

  python Parameter EStimation TOolbox

  Language:Python22847

• raphaelvallat/pingouin

  Statistical package in Python based on Pandas

  Language:Python1.7k145

• zincware/MDSuite

  A post-processing engine for particle simulations

  Language:Python398

• MFlowCode/MFC

  Exascale simulation of multiphase/physics fluid dynamics

  Language:Fortran15772

• ACEsuit/mace

  MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

  Language:Python596228

• janosh/elementari

  Interactive browser visualizations for materials science: periodic tables, 3d crystal structures, Bohr atoms, nuclei, heatmaps, scatter plots.

  Language:TypeScript13813

• sundmanbo/opencalphad

  Open Calphad, thermodynamic calculation code

  Language:Fortran18877

• pycalphad/pycalphad

  CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.

  Language:Python306111

• tkphd/ternary-phase-diagram

  Derivation and construction of a thermodynamic phase diagram for ternary alloy systems with 2 or 3 phases

  Language:Python184

• guyer/phasefieldbenchmark-8

  FiPy implementation of CHiMaD Phase Field Workshop benchmark set #8

  Language:Jupyter Notebook22

• usnistgov/fipy

  FiPy is a Finite Volume PDE solver written in Python

  Language:Python526154

• openmc-dev/openmc_mcnp_adapter

  Tool for converting MCNP input files to OpenMC classes/XML

  Language:Python3719

• mit-crpg/BEAVRS

  A two-cycle full-core PWR depletion benchmark based on a commercial nuclear power plant

  Language:Python3319

• GEOUNED-org/GEOUNED

  A tool to convert CAD to CSG & CSG to CAD for Monte Carlo transport codes

  Language:Python5932

• RemDelaporteMathurin/h-transport-materials-dashboard

  Dashboard for H transport properties

  Language:Python115

• sandialabs/Advanced-Data-Analysis-in-Inertial-Confinement-Fusion-and-High-Energy-Density-Physics

  Example code for Bayesian Inference and Machine Learning in HEDP and ICF

  Language:Jupyter Notebook21

• elcorto/pwtools

  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

  Language:Python6513

• bjheinen/LiquidDiffract

  LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.

  Language:Python195

• highness-eu/TSL_School

  Material for the HighNESS International School on Thermal Neutron Scattering Kernel Generation

  Language:Jupyter Notebook72

• AnderGray/TransitionalMCMC.jl

  Implementation of Transitional Markov Chain Monte Carlo (TMCMC) in Julia.

  Language:Julia164

• carstenbauer/BinningAnalysis.jl

  Statistical standard error estimation tools for correlated data

  Language:Julia278

• Asureda/espresso

  The ESPResSo package

  1

• Asureda/openmc

  OpenMC Monte Carlo Code

  1

• Asureda/coarse_grain_polyelectrolyte

  Influence of charge regulation on conformational ,ionization properties and dynamics of polyelectrolytes

  Language:Jupyter Notebook2