SimonEnsemble
Associate Professor of Chemical Engineering, Oregon State University
Oregon State UniversityCorvallis, Oregon
Pinned Repositories
Controlz.jl
simulation of simple controls problems in Julia
data_science_course
CHE 599 at Oregon State University
graph-kernel-SVM-for-toxicity-of-pesticides-to-bees
reproduce our bee toxicity paper DOI: 10.1063/5.0090573
IAST.jl
ideal adsorbed solution theory (IAST)
mpn_charges
predicting charges on MOF atoms via a message passing MOFs
PoreMatMod.jl
a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent crystal for a query fragment, then align and install a replacement fragment in its place.
porous-material-AI-gym
open data sets for machine learning pertaining to porous materials
PorousMaterials.jl
Julia package towards classical molecular modeling of nanoporous materials
RxnDfn
numerical solution to 1D reaction diffusion equations
Xtals.jl
working with crystal structures
SimonEnsemble's Repositories
SimonEnsemble/mpn_charges
predicting charges on MOF atoms via a message passing MOFs
SimonEnsemble/data_science_course
CHE 599 at Oregon State University
SimonEnsemble/RxnDfn
numerical solution to 1D reaction diffusion equations
SimonEnsemble/latent_cage_space
Eigencages: Learning a latent space of porous cage molecules
SimonEnsemble/oldish_SimonEnsemble.github.io
group website
SimonEnsemble/CHE-599-intro-to-data-science-Fall-2021
SimonEnsemble/CHE_361_W2022
SimonEnsemble/unresponsive_directions_in_sensors
SimonEnsemble/BO_of_COFs
Python code for the paper Bayesian Optimization of Nanoporous Materials.
SimonEnsemble/material_recommendation_system
SimonEnsemble/PropellantStorage
SimonEnsemble/sensor_arrays
MOF sensor arrays
SimonEnsemble/sir_model
SimonEnsemble/SquidGame-BridgeGame
SimonEnsemble/18S191
Course 18.S191 at MIT, Spring 2021 - Introduction to computational thinking with Julia:
SimonEnsemble/adsorbents_balloons_exchange_gas
SimonEnsemble/Bio3DView.jl
A julia package to view macromolecular structures in the REPL or in a Jupyter notebook/JupyterLab
SimonEnsemble/BlochCages
SimonEnsemble/catbook
a category-centric theme for Jekyll
SimonEnsemble/control_theory_demos
SimonEnsemble/Flux.jl
Relax! Flux is the ML library that doesn't make you tensor
SimonEnsemble/MolecularGraph.jl
Graph-based molecule modeling toolkit for cheminformatics
SimonEnsemble/MORF_model
SimonEnsemble/nonlinear_sensing
SimonEnsemble/pyIAST
Ideal Adsorbed Solution Theory
SimonEnsemble/Roots.jl
Root finding functions for Julia
SimonEnsemble/SimonEnsemble_old.github.io
Group website
SimonEnsemble/thesis-pommerenck
This repository contains my publications and dissertation while a PhD candidate specializing in theory and computation at Oregon State University.
SimonEnsemble/thesis-pommerenck-1
The repository contains many of my papers during my graduate studies.
SimonEnsemble/www.julialang.org
Julia Project website