Cory Simon (@SimonEnsemble)
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SimonEnsemble

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Top repositories

1

PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials
Jupyter Notebook
51
star
2

Controlz.jl

simulation of simple controls problems in Julia
Julia
30
star
3

porous-material-AI-gym

open data sets for machine learning pertaining to porous materials
23
star
4

mpn_charges

predicting charges on MOF atoms via a message passing MOFs
Jupyter Notebook
22
star
5

Xtals.jl

working with crystal structures
Julia
21
star
6

data_science_course

CHE 599 at Oregon State University
Jupyter Notebook
20
star
7

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.
Julia
17
star
8

RxnDfn

numerical solution to 1D reaction diffusion equations
Julia
11
star
9

graph-kernel-SVM-for-toxicity-of-pesticides-to-bees

reproduce our bee toxicity paper DOI: 10.1063/5.0090573
Julia
9
star
10

IAST.jl

ideal adsorbed solution theory (IAST)
Julia
8
star
11

MolecularGraphKernels.jl

Julia
8
star
12

multi-fidelity-BO-of-COFs-for-Xe-Kr-seps

Jupyter Notebook
8
star
13

DiffusionMap.jl

Julia
6
star
14

the_German_tank_problem

TeX
4
star
15

XtalsPyTools.jl

Julia
4
star
16

MoleculeViz.jl

visualize molecules in OpenGL with Julia
Julia
4
star
17

old_ish_SimonEnsemble.github.io2

HTML
3
star
18

oldish_SimonEnsemble.github.io

group website
Jupyter Notebook
3
star
19

NiPyC_analogues

Jupyter Notebook
3
star
20

intro_to_data_science_fall_2022

Julia
3
star
21

latent_cage_space

Eigencages: Learning a latent space of porous cage molecules
Jupyter Notebook
3
star
22

unresponsive_directions_in_sensors

Jupyter Notebook
2
star
23

CHE-599-intro-to-data-science-Fall-2021

Julia
2
star
24

SimonEnsemble.github.io

HTML
2
star
25

CHE_361_W2022

Julia
2
star
26

CHE599_intro_data_sci_F2023

HTML
1
star
27

CHE361_W2024

Julia
1
star
28

SquidGame-BridgeGame

Julia
1
star
29

sir_model

Julia
1
star
30

miscibility_matrix_factorization

Julia
1
star
31

PropellantStorage

Julia
1
star
32

sensor_arrays

MOF sensor arrays
Jupyter Notebook
1
star
33

material_recommendation_system

Jupyter Notebook
1
star