JacksonBurns/cpp-projects

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JacksonBurns/cpp-projects

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compiled binaries of various projects for my C++/data structures class

astartes

Better Data Splits for Machine Learning

py2opsin

Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature

py2sambvca

Simple thin client to interface python scripts with SambVca catalytic pocket fortran calculator.

fastprop

Fast Molecular Property Prediction with mordredcommunity

MATLAB-Start-to-Finish

Lectures, code examples, and practice questions for teaching MATLAB for applications in undergraduate chemical engineering classes.

Crow

Crow Really Outta Work - User Friendly GUI for High Throughput Experimentation Automation

presentable

Providing a Prettier Confusion Matrix for your Command Line

rmgdb

The ReactionMechanismGenerator Database Standard and Database

fastsolv

Jupyter Notebook

numlinelib

Plot number lines in Python

SimplifySplittingChemicals

Simplify your train:test Splitting for Chemicals in Machine Learning

MATLAB_barlabel

MATLAB function to write the values of bars overtop in figures.

blank-python-project

Blank Python Project with Tests, Docs, Examples, GitHub Actions, and Packaging

use-rse-23-astartes

Extrapolation and Interpolation in Machine Learning Modeling with Fast Food and astartes

Jupyter Notebook

py2sterimol

Thin client Python interface to the original Fortran implementation of Sterimol parameters