xwxw66

xwxw66's Stars

• mushroomfire/mdapy

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

  Language:Python577

• blaiszik/Materials-Databases

  7415

• libAtoms/matscipy

  Materials science with Python at the atomic-scale

  Language:Python17455

• russlanj/Superhardness-Data

  All files including the code, data and crystal files used in our paper "Crystal structure guided machine learning for the discovery and design of intrinsically hard materials" that is published in Journal of Materiomics

  Language:Python22

• bru32/CoolProp

  Thermophysical properties for the masses

  Language:C++1

• agiliopadua/lammps

  Public development project of the LAMMPS MD software package

  Language:C++42

• MariaPanoukidou/Zero-shear-viscosity

  Green Kubo and Einstein-Helfand methods for calculation of viscosity (DPD specific)

  Language:C++1

• callee2006/MachineLearning

  Deep learning and machine learning example codes for practice

  Language:Jupyter Notebook185

• austinmcdannald/feasst

  FEASST: Free Energy and Advanced Sampling Simulation Toolkit (prototype of https://pages.nist.gov/feasst)

  Language:Jupyter Notebook1

• drcassar/viscosity-graybox-nn

  Gray-box Neural Network to predict the viscosity of liquids

  Language:Python1

• drcassar/shap

  A game theoretic approach to explain the output of any machine learning model.

  1

• drcassar/glasspy

  Python module for scientists working with glass materials

  Language:Python267

• drcassar/SciGlass

  The database contains a vast set of data on the properties of glass materials.

  103

• kimjonghokr/MCMC

  Implementation of Markov Chain Monte Carlo in Python from scratch

  1

• kimjonghokr/viscnet

  Machine learning model to predict the viscosity of oxide liquids

  2

• kimjonghokr/machine_learning_glass

  1

• kimjonghokr/ANDiE-v1_0

  ANDiE: Autonomous Neutron Diffraction Explorer

  1

• Vovadoes/CalculationDynamicViscosity

  Language:Python1

• VictorOliveiraCortes/Viscosity-Calculation

  Language:HTML11

• kimjonghokr/GFA_viscosity

  Glass Forming Ability Calculation (Jezica)

  Language:Jupyter Notebook3

• Dezhao-Huang/Lammps-shear-viscosity-calculation

  This repository contains the lammps custom script to calculate the shear viscosity using the Couette flow and the Green-Kubo relationship.

  Language:Liquid91

• google-deepmind/materials_discovery

  Language:Jupyter Notebook865136

• nkaria1/cellular_automata

  we have a matrix with N columns and M rows. Each entry in the matrix is either 0 or 1. We always initialize Row 1. Given a rule , we construct the subsequent row by applying the rule to the previous row and so on. We can extend the number of rows indefinitely. Guided by one of the rules of cellular automata described : http://www.wolframscience.com/nksonline/page-53 Also added the feature to locate all occurances of a specific pattern. The pattern is based on 6 matrix elements located in two subsequent rows. This kind of analysis finds application in pattern recognition (growth of crystals in snowflakes, development of patterns in sea shells, improving unclear images, tracing mutaion)

  Language:Python21

• DayaKishor/Cellular-Automata-Simulation-of-Crystal-Growth

  The program will calculate the basic nature of growth of the thin film.

  Language:Python2

• plumed-tutorials/plumed-tutorials

  The repository for storing the lessons for the PLUMED tutorials site

  Language:Python62

• msultan/SML_CV

  Using supervised machine learning to build collective variables for accelerated sampling

  Language:Jupyter Notebook277

• y1xiaoc/deepmd-plumed

  using deepmd models as CVs in plumed

  Language:C++32

• Vilgefortzz/multiscale-modelling

  App for the visualization of grain growth using Cellular Automata, Monte carlo and MC static recrystallization algorithms

  Language:Java6

• GraGLeS/GraGLeS2D

  A simulation software for anisotropic grain growth in 2D

  Language:C++101

• androsan/CAFE

  Python script for numerical simulation of grain-growth during solidification of 3D printed metals

  Language:Python131