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→ tongzhugroup
2 open source projects by tongzhugroup
[ Open user page on Github ]
1.
reacnetgenerator
an automatic reaction network generator for reactive molecular dynamics simulation
✭ 25
python
javascript
Jupyter Notebook
HTML
cython
CSS
reaction
hmm
reactive
network
md
2.
mddatasetbuilder
A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
✭ 23
python
cython
C++
neural-network
chemistry
molecular-dynamics
dataset
md
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