MartinEls

SI-xyz

A collection of xyz molecular structures from the CompChem literature

AutomaticReactionDiscovery

Using quantum chemical computation to find important reactions without requiring human intuition.

bluebird

Workflows for semi-empirical quantum chemical calculations

brainstorm

Fast, flexible and fun neural networks.

Calebridien

DECIMER-Image-Segmentation

https://decimer.ai

falusycamore

interpolation

Methods for data point interpolation

javascript-tutorial-de

Deutsche Übersetzung des Modernen JavaScript Tutorials.

kingas

simulation scripts to teach programming with the kinetic theory of gases

knowledge

Sample knowledge base in markdown

LogicMaps

martinels.github.io

My personal web page

statbook

Source code for my statistic without math using R book

molcomp_logic

Software tools for logic design in molecular logic gate based computing

palettetown

Pokemon themed colour schemes for R.

qc-benchmarks

Quantum chemical reference structures and energies

rdkit_ipynb_tools

RDKit Tools for the IPython Notebook

vespa-sample-apps

Repository of sample applications for https://vespa.ai, the open big data serving engine

xppy

XPPy is Python interface for Bard Ermentrout's XPP.

xtb_gaussian

zlog

A low-latency in-memory C logging library