hainm

molstarview

Try to bring molstar to Jupyter notebook (no lab yet).

DashMD

Real time monitoring and visualization of Amber MD simulations

fullscreen

Just for fun: Make an ipywidgets's Widget fullscreen

pdb4amber

Using ParmEd for pdb4amber.

ambertools-binary-build

ambertools-conda-build. Absolutely experimental.

cpptraj

Biomolecular simulation trajectory/data analysis.

deck.gl

WebGL2 powered geospatial visualization layers

fep-benchmark

Benchmark set for relative free energy calculations.

GraphVampNet

interactive_OT

Code for interactive visualization of optimal transport under mode imbalance

ipyvue

Jupyter widgets base for Vue libraries

ipywidgets

IPython widgets for the Jupyter Notebook

itkwidgets

Interactive Jupyter widgets to visualize images, point sets, and meshes in 2D and 3D

Kekule.js

A javascript cheminformatics toolkit.

kepler.gl

Kepler.gl is a powerful open source geospatial analysis tool for large-scale data sets.

kugupu

MD_namd_python

Molecular Dynamics with namd2 and python

miew

3D Molecular Viewer

mne-python

MNE : Magnetoencephalography (MEG) and Electroencephalography (EEG) in Python

mojo

The Mojo Programming Language

neutromeratio

Tautomer ratios in solution

nglview

IPython widget to interactively view molecular structures and trajectories

nglview-binder

notebook-nglview

pdb_prot_align

Align proteins to chains in PDB structures

pyrosetta_viewer3d

Display PackedPose objects, Pose objects, or PDB files within a Jupyter notebook and Google Colab

pytorch-optimizer

torch-optimizer -- collection of optimizers for Pytorch

pytraj

Python API for cpptraj: a data analysis package for biomolecular simulation

pytraj-build-box

my playground with pytraj/conda/pip build

tcz_demo