Jackson Burns's Projects
Starter layout and paper format for 18.337 semester project
A Python toolbox to work with molecular similarity
Predicting the selectivity of aryl-chloride/tosylate with ML
Better Data Splits for Machine Learning
Blank Python Project with Tests, Docs, Examples, GitHub Actions, and Packaging
JavaScript interface to ca.mit.edu and ca.csail.mit.edu
A python package for chemical space visualization.
Message Passing Neural Networks for Molecule Property Prediction
compiled binaries of various projects for my C++/data structures class
Crow Really Outta Work - User Friendly GUI for High Throughput Experimentation Automation
Fast Molecular Property Prediction with mordredcommunity
fastprop on AqSolDBc and OChemCurated
A plugin to use Nvidia GPU in PySCF package
Heavy Metals and Monomers Database
Hirshfeld Analysis module for PySCF
Lectures, code examples, and practice questions for teaching MATLAB for applications in undergraduate chemical engineering classes.
MATLAB function to write the values of bars overtop in figures.
molfeat - the hub for all your molecular featurizers
Community-Maintained Version of mordred
NequIP is a code for building E(3)-equivariant interatomic potentials
Plot number lines in Python
A Python wrapper for PaDEL-Descriptor software