davidmeijer

versalign

Multiple sequence aligner for arbitrary objects.

mol2html

Small wrapper around 3dmol.js and html2canvas for creating self-contained HTML files that display a 3D molecular representation.

molray

Ray tracer for creating simple molecule depictions.

pikachu

Python-based Informatics Kit for Analysing Chemical Units

clamshell_plot

Create a clamshell plot for your counts data.

davidmeijer

Config files for my GitHub profile.

davidmeijer.github.io

My personal website.

gptchem

grape-release

GRAPE official release repo

metaflux

Web application for metabolic flux modelling.

minimal-docker-template

portfolio

Personal website source code.

pyvista-molecule

PyVista wrapper for drawing high resolution (GIFs of) 3D molecular conformers.

rl_playground

RLContinuousActionSpace

Reinforcement Learning in continuous state and action spaces. DDPG: Deep Deterministic Policy Gradient and A3C: Asynchronous Actor-Critic Agents

scaffold-extraction

Create molecular scaffold embeddings from molecule clusters.

som-tsp

Self-organising maps for finding a sub-optimal solution for the traveling salesman problem.

test_data

thesis_regioselectivity

python-intermediate-inflammation

A template software project for use in Intermediate Research Software Development Skills In Python course. Contact: @jag1g13

BioChroma

ML_UVvisModels

sgpy

Python package for creating and interacting with graph databases of protein domains and their genome coordinates

statmech