JacksonBurns/py2opsin

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42
Rank 653,146 (Top 13 %)
Language
Python
License
MIT License
Created over 1 year ago
Updated about 1 month ago

JacksonBurns/py2opsin

JacksonBurns

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

astartes

Better Data Splits for Machine Learning

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

cpp-projects

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

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