quantumchemist Goto Github PK
Name: Christina Ertural
Type: User
Company: BAM
Bio: Enthusiastic Quantum Chemist, PostDoc at @BAMresearch @JaGeo, former LOBSTER (cohp.de) developer.
Location: Berlin, Germany
Blog: https://g.co/kgs/y3H46F
Christina Ertural's Projects
atomate2
atomate2 is a library of computational materials science workflows
discord_bot_prototype
A very simple prototype for a customized Discord bot.
githubstats
hf-ein-versuch
HF prgramming in python
how-to-validate-potentials
Some tutorial-style examples for validating machine-learned interatomic potentials
im_still_alive
I'm on a .bf trip and I'm still alive.
jageo.github.io
lcsto
lix
Lisp-like functional programming toy language based on compiling to an interpreted lambda calculus.
lobsterpy
Package to automatically analyze LOBSTER (cohp.de) runs
lobsterpygui
A simple graphical user interface for LobsterPy
phonopy
Phonon code
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
quacc
quacc is a flexible and extensible platform for high-throughput computational materials science and quantum chemistry.
quantumchemist
quantumchemist.github.io
GitHub Page
stable-diffusion
vasp_lol
VASP - Localized Orbital Locator
wxdragon
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