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abaquspython

Abaqus Python Scripts for bridge structure

ampe

Adaptive Mesh Phase-field Evolution

cellpylib

A library for working with Cellular Automata, for Python.

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

digital-twin-opcua

Files used in the development of a digital twin for a robot cell at NTNU with the use of Visual Components 4.0 and OPC UA

dragonfly

An open source python library for scalable Bayesian optimisation.

espei

Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59

feature-engineering-and-feature-selection

A Guide for Feature Engineering and Feature Selection, with implementations and examples in Python.

feature-selection

Features selector based on the self selected-algorithm, loss function and validation method

feature-selection-for-machine-learning

Methods with examples for Feature Selection during Pre-processing in Machine Learning.

featureselectionga

Feature Selection using Genetic Algorithm (DEAP Framework)

gradient-free-optimizers

Simple and reliable optimization with local, global, population-based and sequential techniques in numerical discrete search spaces.

hello-world

hybrid-cuckoo-search

Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-Solution Alloy Structure Design Tool

kmclib

A kinetic Monte Carlo Python/C++ library.

mcmc

Collection of Monte Carlo (MC) and Markov Chain Monte Carlo (MCMC) algorithms applied on simple examples.

mmsp

The Mesoscale Microstructure Simulation Project

moose

Multiphysics Object Oriented Simulation Environment

mph

Pythonic scripting interface for Comsol Multiphysics

mupif

MuPIF - A multiphysics integration framework written in Pyton. It allows combining existing software tools to build a customized multiphysics simulation chains

oof2

Object Oriented for Finite Elements 2D version.

opencalphad

Open Calphad, thermodynamic calculation code

phasefield-precipitate-aging

Phase field model for precipitate aging in ternary analogues to Ni-based superalloys

prisms-toolbox

A collection of scripts to complement and enhance the core PRISMS codes

pycalphad

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

pydem

Python Design Exploration Method (PyDEM)

pymapdl

Pythonic interface to ANSYS result, full, and archive files

pymc

THIS IS THE **OLD** PYMC PROJECT. PLEASE USE PYMC3 INSTEAD:

pymc3

Probabilistic Programming in Python: Bayesian Modeling and Probabilistic Machine Learning with Aesara