AdityaSavara

KinCat

Modelling-XPS-ODE-constrained-opt

This github repository contained the PDE constrained optimisation calculation used in the paper "New Insights into the Kinetics of Metal|Electrolyte Interphase Growth in Solid-State-Batteries via an Operando XPS Analysis - Part II Modelling"

JeLLyFysh

JeLLyFysh - a Python application for all-atom event-chain Monte Carlo. Version 1.0 (August 1st, 2019)

mpi4py-travis

Reference repository showing how to use Travis CI for MPI with C++17 and mpi4py with Python3.7+.

cats

Catalysis And Treatment Simulations (CATS) library for MOOSE

mcpele

Monte Carlo and parallel tempering routines built on the pele foundation

espyranto

Python library to read multi-well plates

Rhine_Water_Level_Prediction

A Covestro hosted hackathon at Carnegie Mellon University (As well as universities in Germany and China). My team and I were given a dataset and tasked with predicting the water level of the Rhine river.

nb_search

A package that can be used to search through and organize Jupyter notebooks.

PyHamcrest

Hamcrest matchers for Python

Ryven

Flow-based visual scripting for Python

EStokTP

Frhodo

Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application

ready

A cross-platform implementation of various reaction-diffusion systems and PDEs.

PyDAS

A Python wrapper for the DASSL, DASPK, and DASKR differential algebraic system solvers

mkin4py

A general linear model for microkinetic catalytic systems.

optinpy

Optimization in Python: Linear and non-linear optimization methods.

semantometrics

Implementation of some semantometric metrics

gryphon-project

Library for solving time dependent PDEs in FEniCS using Runge-Kutta ESDIRK methods

wiki

Repository of Schneider Group SOPs

python-sortedcontainers

Python Sorted Container Types: Sorted List, Sorted Dict, and Sorted Set