blakeaw Goto Github PK

52-hike-app

A streamlit web app or data dashboard for my 52 Hike Challenge log.

arbitraryprecisionadditionsubtraction

My stab at implementing arbitrary precision floating plot addition and subtraction using string representations of numbers.

atomic-molecular-nested-sampling

Nested Sampling implementations and case studies developed during my Ph.D. work.

bashadventure

A simple text based game for the terminal (written in bash)

biocomparator

software toolset to compare biological-models

blakeaw.github.io

Personal website and blog.

blog-posts

Source code and notebooks for blog posts on blakeaw.github.io.

cafe_plugin

a VMD plugin for binding affinity prediction using end-point free energy methods

change-extension

Bash script to change the extension of all files with a given extension.

clusterns

conda-build_recipes

Conda build recipe files that I've used/written to build packages for my Anaconda cloud channel.

extracellular-models

Reaction-diffusion models to simulate the dynamics of fluorescent dyes and peptides in the brain extracellular space implemented using the extracellular simulator in NEURON.

firemd_min_implementation

An implementation of the FIRE MD minimization scheme for a Lennard-Jones system.

galibrate

Parameter estimation and model calibration using Genetic Algorithm optimization in Python.

galibrate_performance_comparison

Jupyter notebook comparing the performance of GAlibrate's Cython, Numba, and pure-Python implementations of the core GA.

gleipnir

A python toolkit for Nested Sampling, Gleipnir allows users to compute the Bayesian evidence and posterior parameter distributions of models.

hello-ghpages

hello-world

learning github with hello world example

insurance-pro-rata-calculator

Compute the pro rata rate for adding trucks or vehicles to a commercial insurance policy.

lammps_setup_tools

A set of programs and scripts to facilitate setting up LAMMPS simulations.

lammps_tabgen

A python script to generate LAMMPS format tabulated potential/force files

latex-paramedic

A python script which processes LaTex .tex files and adds commands to highlight text based on the Paramedic Method of editing writing.

learnterminal

A bash script to help learn some basic terminal commands

lipidbilayeranalysis

This is the first life version of this project, which has since been reinvented and relaunched as the PyBILT repo. A set of Python classes and functions for analyzing lipid bilayers. Uses MDAnalysis as the front end for reading the structure and trajectory files.

lj_metropolismontecarlo_py

Python programs implementing Metropolis Monte Carlo simulations of atomic Lennard Jones (12-6) systems

mygo

Model of Yeast Glycolytic Oscillations in PySB

nvt_metropolismontecarlo_lj_particles

Metropolis Monte Carlo simulations of Lennard-Jones particles in the canonical ensemble.

objectivelearner

Get more out of objective function evaluations made during model calibrations.

peptide-property-app

Used peptides.py to predict peptide properties from the amino acid sequence.

pybilt

Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.