SimonEnsemble
Associate Professor of Chemical Engineering, Oregon State University
Oregon State UniversityCorvallis, Oregon
SimonEnsemble's Stars
JuliaLang/julia
The Julia Programming Language
CSSEGISandData/COVID-19
Novel Coronavirus (COVID-19) Cases, provided by JHU CSSE
JuliaData/DataFrames.jl
In-memory tabular data in Julia
JuliaMolSim/Molly.jl
Molecular simulation in Julia
FluxML/GeometricFlux.jl
Geometric Deep Learning for Flux
JuliaMath/Roots.jl
Root finding functions for Julia
arex18/rocket-lander
SpaceX Falcon 9 Box2D continuous-action simulation with traditional and AI controllers.
kjappelbaum/awesome-chemistry-datasets
overview of datasets for ML in chemistry
mojaie/MolecularGraph.jl
Graph-based molecule modeling toolkit for cheminformatics
madeleineudell/LowRankModels.jl
LowRankModels.jl is a julia package for modeling and fitting generalized low rank models.
JuliaGL/ModernGL.jl
OpenGL 3+ bindings for Julia
JuliaPluto/static-export-template
A template to automatically convert Pluto notebooks to an HTML website with GitHub Pages. Demo page:
SimonEnsemble/PorousMaterials.jl
Julia package towards classical molecular modeling of nanoporous materials
pyrfume/pyrfume-data
Provenance and tracking for Pyrfume data sources
CorySimon/pyIAST
Ideal Adsorbed Solution Theory
core-cof/CoRE-COF-Database
jgreener64/Bio3DView.jl
A Julia package to view macromolecular structures in the REPL, in a Jupyter notebook/JupyterLab or in Pluto
SimonEnsemble/Controlz.jl
simulation of simple controls problems in Julia
eloyfelix/RDKitMinimalLib.jl
RDKitMinimalLib wrapper for the Julia programming language
SimonEnsemble/Xtals.jl
working with crystal structures
SimonEnsemble/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.
SimonEnsemble/graph-kernel-SVM-for-toxicity-of-pesticides-to-bees
reproduce our bee toxicity paper DOI: 10.1063/5.0090573
SimonEnsemble/IAST.jl
ideal adsorbed solution theory (IAST)
SimonEnsemble/MolecularGraphKernels.jl
eahenle/MLMolGraph.jl
Frost-group/MolGN.jl
Molecular Graph Networks - a work in progress