juliawestermayr

Pinned Repositories

ai4chem_course
EPFL CH-457 "AI for chemistry"
Language:Jupyter Notebook0 0 01
github-slideshow
A robot powered training repository :robot:
Language:HTML0 1 10
ML_Chemistry_Teaching23
Jupyter notebooks for the Master ML courses at Leipzig University
Language:Jupyter Notebook1 1 00
NN_CH2NH2
Multi-layer feed forward neural network potentials of CH2NH2+
Language:Python0 1 00
SchNarc_221211
Language:Python1 1 00
schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Language:Python1 0 00
spk_addons
Custom functions for SPK
Language:Python0 1 01
NQCDynamics.jl
Fast and flexible nonadiabatic molecular dynamics in Julia!
Language:Julia57 4 1135
G-SchNetOE62
Language:Python12 2 02
SchNarc
Language:Jupyter Notebook23 4 710

juliawestermayr's Repositories

juliawestermayr/ML_Chemistry_Teaching23
Jupyter notebooks for the Master ML courses at Leipzig University
Language:Jupyter Notebook1 1 00
juliawestermayr/SchNarc_221211
Language:Python1 1 00
juliawestermayr/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Language:Python1 0 00
juliawestermayr/ai4chem_course
EPFL CH-457 "AI for chemistry"
Language:Jupyter Notebook0 0 01
juliawestermayr/github-slideshow
A robot powered training repository :robot:
Language:HTML0 1 10
juliawestermayr/NN_CH2NH2
Multi-layer feed forward neural network potentials of CH2NH2+
Language:Python0 1 00
juliawestermayr/spk_addons
Custom functions for SPK
Language:Python0 1 01