mkuiper

MD_workflow_py

Molecular dynamics workflow framework in python.

MD_workflow

Molecular dynamics workflow directory structure

AveragePhotography

python code to run averaged timelapse photography on a rasberry pi.

alphafold

Open source code for AlphaFold.

calc

Python calculator - example for the Git/GitHub workshop I did

calc-1

A simple Python calculator

deepmind-research

This repository contains implementations and illustrative code to accompany DeepMind publications

HashNet

An experiment into building a neural net of sorts.

htmd

High throughput molecular dynamics simulations

longest_complement

Find the longest matching complements in a DNA string

Making-it-rain

Cloud-based molecular simulations for everyone

MolecularNodes

Addon and nodes for working with structural biology and molecular data in Blender.

prospr

ProSPr: Protein Structure Prediction

ProteinBender

Python functions to create extrabonds files for NAMD to induce secondary structures.

ProteinContactMapper

Protein contact mapper simple app to map contacts in protein structure.

proteinnet

Standardized data set for machine learning of protein structure

SealOrNoSeal

Image filter to specifically identify seals on a beach.

soup

TermGPT

Giving LLMs like GPT-4 the ability to plan and execute terminal commands

test_git

toolbx_pdb

Tools to manipulate and execute tasks on a protein complex ensemble