chepyle

Python4ChEs

Introduction to Python for Chemical Engineers

ChE_problemSolving

Solving some chemical engineering problems in IPython notebook

PMI_Calculator

shiny app to calculate process mass intensity (green chemistry)

BabyNames

Use data to find good baby names

chepyle.github.io

conv_qsar_fast

courses

Course materials for the Data Science Specialization: https://www.coursera.org/specialization/jhudatascience/1

d2m-demo

datascience-bowl

National Data Science Bowl

Deamidation-challenge

DeepLearningTutorials

Deep Learning Tutorial notes and code. See the wiki for more info.

diydoe

Do it yourself design of experiments

DoE_Analysis_Template

Analysis Example to Support AIChE 2018 Presentation

Drug-combo-challenge

EvalAI_demo

GaNDLF

A generalizable application framework for segmentation, regression, and classification using PyTorch

imago

Imago OCR: chemical image recognition toolkit

predmachlearn_project

coursera materials

pyDOE

Design of experiments for Python

pyndamics

Python Numerical Dynamics Simulator

PythonChemometrics

QSAR-challenge

QSPR_Example

Supporting code for AIChE 2017 presentation

rare-x-post-analysis

SciMLTutorials.jl

Tutorials for doing scientific machine learning (SciML) and high-performance differential equation solving with open source software.

Sterimol

Calculate Sterimol parameters from Gaussian input/output files

universal_differential_equations

Repository for the Universal Differential Equations for Scientific Machine Learning paper, describing a computational basis for high performance SciML

VLE_Calculator

Calculation of Vapor-Liquid Equilibrium for solvents. Uses a RShiny app interface for binary mixtures