hainm

Technical Lead and Principal Scientist at Schrödinger.

SchrodingerNew York

Pinned Repositories

pytraj
Python interface of cpptraj
Language:Jupyter Notebook170 17 27838
alchemical-analysis
Language:Python1 1 00
amber2016_meeting
My slides for AMBER 2016 meeting
Language:HTML1 1 00
amber_library
1 1 00
ase
Atomic Simulation Environment - mirrored from https://gitlab.com/ase/ase
Language:Python3 1 076
molstarview
Try to bring molstar to Jupyter notebook (no lab yet).
Language:Python12 2 20
notebook-pytraj
Language:Jupyter Notebook2 1 00
pymsmt
Python Metal Site Modeling Toolbox
Language:Python3 2 06
nglview
Jupyter widget to interactively view molecular structures and trajectories
Language:Jupyter Notebook820 22 494134

hainm's Repositories

hainm/dabble
Membrane protein builder and parameterizer
Language:Python1
hainm/nbtests
For NGLView testing
Language:JavaScript11
hainm/pdb4amber-contrib
1 1 0
hainm/amber-md.github.io
A place to hold auto-generated API documentation for some packages in AMBER
Language:HTML1 0
hainm/ambertools-ci-base
Not for user. For nightly build: https://github.com/Amber-MD/ambertools-ci
Language:Shell
hainm/ambertools-ci-prep
2 0
hainm/ambertools-dev-binary
yeah, just tmp
1 0
hainm/bioconda-recipes
Conda recipes for the bioconda channel.
Language:Shell
hainm/bulbea
:boar: :bear: Deep Learning based Python Library for Stock Market Prediction and Modelling
Language:Python
hainm/clasp
Language:C++
hainm/clustergrammer-widget
The Clustergrammer interactive Jupyter notebook widget
Language:Jupyter Notebook0 0
hainm/d3-molecule
D3 based interactive visualization library + tool to make render atoms and molecules learning chemical bonding in a fun way.
Language:HTML
hainm/Detectron
FAIR's research platform for object detection research, implementing popular algorithms like Mask R-CNN and RetinaNet.
Language:Python1 0
hainm/hig
:seedling:
Language:HTML1 0
hainm/install_ambertools
Place to store some setup scripts. You can push directly to this repo.
Language:Shell1 03
hainm/ipyvolume
3d plotting for Python in the Jupyter notebook based on IPython widgets using WebGL
Language:Jupyter Notebook
hainm/ipywebrtc
WebRTC for Jupyter notebook/lab
Language:JavaScript
hainm/jupyter-sphinx
Sphinx extension for rendering of Jupyter interactive widgets.
Language:Python1 0
hainm/jupyter.github.io
Jupyter Website
Language:CSS
hainm/jupyterlab-sidecar
A sidecar output widget for JupyterLab
Language:Python1 0
hainm/LiteMol
A library/plugin for handling 3D structural molecular data (not only) in the browser.
Language:JavaScript
hainm/manylinux
Python wheels that work on any linux (almost)
Language:Shell
hainm/nglview-feedstock
A conda-smithy repository for nglview.
Language:Shell
hainm/pandas-datareader
Extract data from a wide range of Internet sources into a pandas DataFrame.
Language:HTML
hainm/pytorch
Language:Python1 0
hainm/reveal.js
The HTML Presentation Framework
Language:JavaScript
hainm/seekpath
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
Language:JavaScript
hainm/thebe
Jupyter javascript plugin for static sites
Language:JavaScript
hainm/vimrc
my .vimrc file
Language:Vim script
hainm/vprof
Visual profiler for Python
Language:Python