Files · master · Dundar Yilmaz / MLReax · GitLab

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duy42 authored 5 years ago

cde00f79

cde00f79 5 years ago

Name	Last commit	Last update
.vscode
Database
MLTraining/BondParameters
Src
Test
TrainingFiles
.DS_Store
.gitignore
MLreax.code-workspace
README.md
angle.eps
anglepars.pck
bond.eps
bondpars.pck
charge.pck
charges.eps
dihedral.eps
dihedralpars.pck
pairwise.eps
pairwise.pck

Machine Learning Assisted ReaxFF/OPLS Hybrid Simulations

The goal is create a tool to generate OPLS force field from ReaxFF output.