Pinned Repositories
htmd
HTMD: Programming Environment for Molecular Discovery
apbs-pdb2pqr
Fork of PDB2PQR including HTMD & py36 fixups (use htmd-fixups branch)
BEGAN-tensorflow
Tensorflow implementation of "BEGAN: Boundary Equilibrium Generative Adversarial Networks"
cv
My YAML cv and resume.
DeeplyTough
DeeplyTough: Learning Structural Comparison of Protein Binding Sites
gpugrid_gui
mutinf
Residue mutual information for MD simulations
ngelectron
Standalone NGL viewer using Electron
TensorMol
Tensorflow + Molecules = TensorMol
utilities
A collection of utiliies I developed to make my life easier
stefdoerr's Repositories
stefdoerr/mutinf
Residue mutual information for MD simulations
stefdoerr/ngelectron
Standalone NGL viewer using Electron
stefdoerr/TensorMol
Tensorflow + Molecules = TensorMol
stefdoerr/utilities
A collection of utiliies I developed to make my life easier
stefdoerr/apbs-pdb2pqr
Fork of PDB2PQR including HTMD & py36 fixups (use htmd-fixups branch)
stefdoerr/BEGAN-tensorflow
Tensorflow implementation of "BEGAN: Boundary Equilibrium Generative Adversarial Networks"
stefdoerr/cv
My YAML cv and resume.
stefdoerr/DeeplyTough
DeeplyTough: Learning Structural Comparison of Protein Binding Sites
stefdoerr/gpugrid_gui
stefdoerr/htmd
High throughput molecular dynamics simulations
stefdoerr/ngl
WebGL protein viewer
stefdoerr/nglview
IPython widget to interactively view molecular structures and trajectories
stefdoerr/opensheetmusicdisplay
OpenSheetMusicDisplay renders sheet music in MusicXML format in your web browser based on VexFlow. OSMD is brought to you by PhonicScore.com.
stefdoerr/ParmEd
Parameter/topology editor and molecular simulator
stefdoerr/pdb2pqr
PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
stefdoerr/propka
PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
stefdoerr/PyEMMA
Python API for Emma's Markov Model Algorithms
stefdoerr/stefdoerr.github.io
stefdoerr/tensorflow
Computation using data flow graphs for scalable machine learning
stefdoerr/torchani
Accurate Neural Network Potential on PyTorch
stefdoerr/WebGL-Fluid-Simulation
Colorful Fluid Animation for Wallpaper Engine