Pinned Repositories
comptools
elabchem
Chemistry fork of eLabFTW
npwatcher
New Page Watcher: Wikipedia tool
thesis-public
Public extract of my thesis
wfh-comp-resources
martinp23's Repositories
martinp23/elabchem
Chemistry fork of eLabFTW
martinp23/npwatcher
New Page Watcher: Wikipedia tool
martinp23/wfh-comp-resources
martinp23/comptools
martinp23/thesis-public
Public extract of my thesis
martinp23/awesome-python-chemistry
A curated list of Python packages related to chemistry
martinp23/cclib
Parsers and algorithms for computational chemistry logfiles
martinp23/emhass
emhass: Energy Management for Home Assistant, is a Python module designed to optimize your home energy interfacing with Home Assistant.
martinp23/ifdi
Code associated with calculation of interfragment delocalization indices (IFDIs)
martinp23/iNMRScripts
iNMR scripts
martinp23/local_daikin
A home assistant integration for integrating Daikin air conditioners running firmware version 2.8.0 to Home Assistant.
martinp23/Local_vs_Global_RMC
RCM model for local ang global ring currents in nanoring and octaphyirin
martinp23/martinp23.github.io
martinp23/misc-scripts
Miscellaneous scripts
martinp23/orbital-overlap-sim
martinp23/peeksgroup-website
martinp23/photoacid-fitting
martinp23/Ring-Current-Model
This script generates a ring current model (RCM) for the given molecule and calculates the induced magnetic field at a specific atoms. This can be than related to the experimental NMR data to deduce ring current susceptibility in units of nA/T.
martinp23/selfhosted-wiki
The official Wiki of the selfhosted.show Podcast.
martinp23/teaching-related
martinp23/wmfgcbot
wmfgcbot
martinp23/znnc-fitting
Fitting algorithm including emcee for binding constants in zinc norcorrole