anessler

@SchniedersLabIowa City, Iowa, United States of America

Pinned Repositories

Crystal-Structure-Prediction
The goal of this repository is to present a crystal structure prediction workflow based on open source tools.
Language:Jupyter Notebook0 0 00
forcefieldx
Force Field X - Software for Molecular Biophysics
Language:Arc00
jtorchani
Java implementation of the ANI PyTorch network (modified from JOpenMM: https://github.com/SchniedersLab/jopenmm)
Language:Java00
Jupyter
Jupyter Notebooks for Force Field X
Language:Jupyter Notebook00
ffx
Force Field X development has moved to the SchniedersLab area of GitHub.
17 14 84
forcefieldx
Force Field X - Software for Molecular Biophysics
Language:Arc20 5 721

anessler's Repositories

anessler/Crystal-Structure-Prediction
The goal of this repository is to present a crystal structure prediction workflow based on open source tools.
Language:Jupyter Notebook0 0 00
anessler/forcefieldx
Force Field X - Software for Molecular Biophysics
Language:Arc00
anessler/jtorchani
Java implementation of the ANI PyTorch network (modified from JOpenMM: https://github.com/SchniedersLab/jopenmm)
Language:Java00
anessler/Jupyter
Jupyter Notebooks for Force Field X
Language:Jupyter Notebook00