Name: Jackson Burns
Type: User
Bio: Chemical Engineering and Computation Researcher @ MIT
Twitter: WowThatBurns
Location: MIT
Blog: jacksonwarnerburns.com
I dug this comment up while attempting to compile an ancient computational chemistry program written in Fortran 77:
The following notes are discoveries made while attempting to figure out how this mess works. They are here so that you, poor soul that you are, don't have to reinvent the wheel (well, at least not the whole thing).
Hopefully my projects don't cause you anywhere near this level of frustration.
18337-project-template
Starter layout and paper format for 18.337 semester project
admin-requests
aimsim
A Python toolbox to work with molecular similarity
arclots
Predicting the selectivity of aryl-chloride/tosylate with ML
astartes
Better Data Splits for Machine Learning
blank-python-project
Blank Python Project with Tests, Docs, Examples, GitHub Actions, and Packaging
caffeinepredictor
certassist
JavaScript interface to ca.mit.edu and ca.csail.mit.edu
chemprop
Message Passing Neural Networks for Molecule Property Prediction
cisc367
cpp-projects
compiled binaries of various projects for my C++/data structures class
crow
Crow Really Outta Work - User Friendly GUI for High Throughput Experimentation Automation
fastprop
Fast Molecular Property Prediction with mordredcommunity
fastsolv
gpu4pyscf
A plugin to use Nvidia GPU in PySCF package
hamdb
Heavy Metals and Monomers Database
hirshfeld
Hirshfeld Analysis module for PySCF
jacksonburns
matlab-start-to-finish
Lectures, code examples, and practice questions for teaching MATLAB for applications in undergraduate chemical engineering classes.
matlab_barlabel
MATLAB function to write the values of bars overtop in figures.
molfeat
molfeat - the hub for all your molecular featurizers
mordred-community
Community-Maintained Version of mordred
mtepor
multiplecomparisons
nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
numlinelib
Plot number lines in Python
padelpy
A Python wrapper for PaDEL-Descriptor software
phosphine-ligands
presentable
Providing a Prettier Confusion Matrix for your Command Line
py2opsin
Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
Django
The Web framework for perfectionists with deadlines.
Laravel
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
Microsoft
Open source projects and samples from Microsoft.
Google
Google ❤️ Open Source for everyone.
Alibaba
Alibaba Open Source for everyone
D3
Data-Driven Documents codes.
Tencent
China tencent open source team.
