Jacob L North's Projects
Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
A library of free open source icons for science illustrations in biology and chemistry
Final project for Networks in Computational Biology at Oregon State University
The deep potential generator
A library for featurizing protein dynamics data for molecular design.
Dynamics PyMOL Plugin
PyMOL plugin for enlighten2
Effort to comprehensively model enzymatic function as observed in the literature
Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
Examples showing how to run GROMACS molecular dynamics simulations
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
A command-line utility to easily create, setup, and submit a set of MD experiments to a job scheduler on a cluster. Initially supports GROMACS simulations and the PBS job scheduler.
Collection of prototype scripts for machine learning frameworks prior to a complete project repo idea formulation.
Config files for my GitHub profile.
My project demonstration site
PiViewer: an open-source tool for automated detection and display of pi-pi interactions
Latex code for making neural networks diagrams
A library of features describing single molecules (especially proteins)
A PyMOL plugin to integrate and visualize data for drug discovery
Collected scripts for Pymol
Protein function prediction and protein unfolding package for computational protein design
Structure-based pharmacophore and ligand family generator.
Transition-state feature-based enzyme scaffold family generator.
for sharing .XCompose keybindings