Pinned Repositories
pytraj
Python interface of cpptraj
alchemical-analysis
amber2016_meeting
My slides for AMBER 2016 meeting
amber_library
ase
Atomic Simulation Environment - mirrored from https://gitlab.com/ase/ase
molstarview
Try to bring molstar to Jupyter notebook (no lab yet).
notebook-pytraj
pymsmt
Python Metal Site Modeling Toolbox
nglview
Jupyter widget to interactively view molecular structures and trajectories
hainm's Repositories
hainm/molstarview
Try to bring molstar to Jupyter notebook (no lab yet).
hainm/DashMD
Real time monitoring and visualization of Amber MD simulations
hainm/fullscreen
Just for fun: Make an ipywidgets's Widget fullscreen
hainm/pdb4amber
Using ParmEd for pdb4amber.
hainm/ambertools-binary-build
ambertools-conda-build. Absolutely experimental.
hainm/cpptraj
Biomolecular simulation trajectory/data analysis.
hainm/deck.gl
WebGL2 powered geospatial visualization layers
hainm/fep-benchmark
Benchmark set for relative free energy calculations.
hainm/interactive_OT
Code for interactive visualization of optimal transport under mode imbalance
hainm/ipyvue
Jupyter widgets base for Vue libraries
hainm/ipywidgets
IPython widgets for the Jupyter Notebook
hainm/itkwidgets
Interactive Jupyter widgets to visualize images, point sets, and meshes in 2D and 3D
hainm/Kekule.js
A javascript cheminformatics toolkit.
hainm/kepler.gl
Kepler.gl is a powerful open source geospatial analysis tool for large-scale data sets.
hainm/kugupu
hainm/MD_namd_python
Molecular Dynamics with namd2 and python
hainm/miew
3D Molecular Viewer
hainm/mne-python
MNE : Magnetoencephalography (MEG) and Electroencephalography (EEG) in Python
hainm/mojo
The Mojo Programming Language
hainm/neutromeratio
Tautomer ratios in solution
hainm/nglview
IPython widget to interactively view molecular structures and trajectories
hainm/nglview-binder
hainm/notebook-nglview
hainm/pdb_prot_align
Align proteins to chains in PDB structures
hainm/pyrosetta_viewer3d
Display PackedPose objects, Pose objects, or PDB files within a Jupyter notebook and Google Colab
hainm/pytorch-optimizer
torch-optimizer -- collection of optimizers for Pytorch
hainm/pytraj
Python API for cpptraj: a data analysis package for biomolecular simulation
hainm/pytraj-build-box
my playground with pytraj/conda/pip build
hainm/pyvista
3D plotting and mesh analysis through a streamlined interface for the Visualization Toolkit (VTK)
hainm/tcz_demo