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ase-espresso

ase interface for Quantum Espresso

bibtextomd

Convert BibTeX entries to formatted Markdown for use with the kramdown processor

catmap

Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

cotools

functional tools for cooperative multitasking.

deap

Distributed Evolutionary Algorithms in Python

diffeqflux.jl

Universal neural differential equations with O(1) backprop, GPUs, and stiff+non-stiff DE solvers, demonstrating scientific machine learning (SciML) and physics-informed machine learning methods

fastmlp

Fast batch fully connected MLP algorithm for classification using numpy memmap

github-cheat-sheet

A list of cool features of Git and GitHub.

gnome-cedilla-fix

A fix to make the Gnome "US-International" layouts generate a cedilla c (ç) when the user types '+c.

gpy

Gaussian processes framework in python

kinn

Kinetics-Informed Neural Networks

libbeef

Library for Bayesian error estimation functionals for use in density functional theory codes

low-order-reactor

CSTR modeling approach for fluidized bed reactors

mkin4py

A general linear model for microkinetic catalytic systems.

nbconvert-examples

Examples that illustrate how nbconvert can be used

optinpy

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

pint

Operate and manipulate physical quantities in Python

pydas

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

pygps

pyGPs is a library containing an object-oriented python implementation for Gaussian Process (GP) regression and classification.

pyipopt

A Python connector to IPOPT

pyodbc

Python ODBC bridge

q-e

quicktest

quick test of hugo on github pages

release

Where the IDAES releases and integration tests live

scikit-learn

scikit-learn: machine learning in Python

sella

spyder

Official repository for Spyder - The Scientific PYthon Development EnviRonment

tag2trend

A general library for handling trend series.

xl2py

An Excel (XL) 2 Python (Py) structure retriever for optimization. Convert the I/O of XL files into Python.