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avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

beta-lactamase

cnnclustering

Common nearest neighbor clustering

covalentdock

legacy code of CovalentDock

covalentdock3

porting CovalentDock to python3

datacamp-scraper

Turn Datacamp lessons into markdown for easy archiving

db-enzymes

Database of reaction barriers in proteins with structures

freecodecamp

freeCodeCamp.org's open source codebase and curriculum. Learn to code at home.

gooey

Turn (almost) any Python command line program into a full GUI application with one line

isotool

Isotopologue and mass spectrum calculator

ncbitools

wrapper tool for easy access to the NCBI databases

okcupidon

A python web scraper built on Selenium to gather profile data from okcupid.com

opal

Traders can practice and refine price action skills with this Django web app.

openchemistry

Supermodule containing submodules and external project to build all components

openforcefield

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

openmm-plumed

OpenMM plugin to interface with PLUMED

openmmforcefields

CHARMM and AMBER forcefields for OpenMM

ox-latex-subfigure

Turn table into subfigure. More or less a hack atm, easy to incorporate to org-mode though

pginteractive

pycotools3

A Python toolbox for COPASI

pyenergydiagrams

This is a simple script to plot energy profile diagrams using Python and matplotlib.

pyrxdock

early version of python tools to call programs from the RXDock Suite

rxivscraper

scrape tool for the MedRxiv/BioRxiv preprint server

statproofbook.github.io

The Book of Statistical Proofs

stats_with_r

tmp_chem

Resources for Trent Parker's TMP Chem Lectures on YouTube