🏷️ Tags

app ase bokeh catalysis chemistry data analysis datasets deep learning django flask graphics html linux machine learning matplotlib packages pandas periodic table phd povray python quantum mechanics research sympy ux visualization zeolites

Blog posts

16 Oct 2022

(5 min)

Better select forms with django and Bootstrap 5

Small tweaks to improve user experience and avoid dropdowns

django python ux

24 Jun 2021

(2 min)

Datasets beat Models

Why should you pay attention to the paradigm of data-centric AI

machine learning datasets

31 Oct 2017

(2 min)

Zeolite pore size oddity

Structural vs functional classification

zeolites data analysis

28 Sep 2017

(1 min)

Superimpose chemical structures

How to make nice graphics from multiple structures

graphics python chemistry povray ase

18 Jun 2017

(2 min)

Debian 9

Successful upgrade to Debian Stretch

linux

12 Jun 2017

(1 min)

Chemical kinetics with python

Exploring chemical reaction kinetics with Python

research python chemistry

12 Jun 2017

(1 min)

Radial density and sympy

Plotting quantum mechanical electron densities

python chemistry quantum mechanics sympy

28 May 2017

(5 min)

22 May 2017

(4 min)

22 Apr 2017

(2 min)

Zeolite Framework Classification II

Visualization of zeolite topologies classification, part II.

zeolites python pandas

28 Mar 2017

(4 min)

Zeolite Framework Classification

Visualization of zeolite topologies classification using bokeh.

zeolites bokeh python

28 Jan 2017

(5 min)

Awesome Python Chemistry

A repository of chemistry related python tools

python chemistry packages

22 Jan 2017

(4 min)

mendeleev web app

The first working version of the mendeleev app

periodic table app flask python

21 Jan 2017

(2 min)

Geilo Winter School

Machine Learning, Deep Learning and Data Analytics

machine learning deep learning

11 Nov 2016

(1 min)

Batch Calculator v0.3.0 released

Check out the latest features of the Batch Calculator!

phd research python

1 Jul 2015

(1 min)

PhD Thesis Completed!

A bit about my PhD research activities.

phd research