lmj1029123

I'm a Chemical Engineering Ph.D. student in Kitchin Group.

Pinned Repositories

schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Language:Python807 32 254217
autograd
Efficiently computes derivatives of numpy code.
Language:Python00
ocp_similarity_search
https://opencatalystproject.org/
Language:Jupyter Notebook00
schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Language:Python0 0 00
SGCMC_Acrolein_AgPd
Semi-grand canonical Monte Carlo simulation for AgPd with the Acrolein
Language:Python2 1 02
SingleNN
SingleNN, a NN potential for energy and forces
Language:Python9 2 11

lmj1029123's Repositories

lmj1029123/SingleNN
SingleNN, a NN potential for energy and forces
Language:Python9 2 11
lmj1029123/SGCMC_Acrolein_AgPd
Semi-grand canonical Monte Carlo simulation for AgPd with the Acrolein
Language:Python2 1 02
lmj1029123/autograd
Efficiently computes derivatives of numpy code.
Language:Python00
lmj1029123/ocp_similarity_search
https://opencatalystproject.org/
Language:Jupyter Notebook00
lmj1029123/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Language:Python0 0 00