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/plumed2
Development version of plumed 2
Language:C++1 1 0
hainm/elyxer
eLyXer (pronounced elixir) is a LyX to HTML converter. While there are a ton of such projects all over the web, eLyXer has a clear focus on flexibility and elegant output.
Language:Python
hainm/gh-util
Github command line utilities
Language:Python
hainm/ImplicitSolvent
My python stuff
Language:Python1 0
hainm/MolecularDynamics.jl
Julia utilities for reading in and analyzing Gromacs simulation results
Language:Julia1 0
hainm/open-forcefield-group
For discussing and aggregating data for force field development
Language:Python1 0
hainm/test_fortran_wrapping
test wrapping fortran code by ctypes and cython
hainm/UGM_2013
Language:Jupyter Notebook