gusmaogabriels

optinpy

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

mkin4py

A general linear model for microkinetic catalytic systems.

kinn

Kinetics-Informed Neural Networks

xl2py

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

ase-espresso

ase interface for Quantum Espresso

catmap

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

GPy

Gaussian processes framework in python

low-order-reactor

CSTR modeling approach for fluidized bed reactors

pint

Operate and manipulate physical quantities in Python

pyGPs

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

bibtextomd

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

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.

jax

Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

libbeef

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

nbconvert-examples

Examples that illustrate how nbconvert can be used

PyDAS

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

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.