jameseastwood

I am professionally involved in the development of software for molecular simulation and design.

New York, NY

Pinned Repositories

Init
0 1 00
orgnet
orgnet is a python package for generating and working with organizational charts based on the network theory of organizational structure.
00
PeptoidSimulationTools
Language:Python1 1 01
RosettaPeptoidDesign
Scripts and resources for Rosetta design protocols for peptoids
Language:Pascal2 2 01
openff-interchange
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Language:Python71 21 34523
openforcefield.org
Hugo website source for openforcefield.org
Language:JavaScript7 20 4414
yammbs
Internal tool for benchmarking force fields
Language:Jupyter Notebook3 17 231
ExampleNotebooks
Notebooks demonstrating how to do simple tasks related to free energy calculations.
Language:Jupyter Notebook39 1 754
openfe
The Open Free Energy toolkit
Language:Python141 9 46720
openfe_analysis
Language:Python2 4 221

jameseastwood's Repositories

jameseastwood/RosettaPeptoidDesign
Scripts and resources for Rosetta design protocols for peptoids
Language:Pascal2 2 01
jameseastwood/PeptoidSimulationTools
Language:Python1 1 01
jameseastwood/Init
0 1 00
jameseastwood/orgnet
orgnet is a python package for generating and working with organizational charts based on the network theory of organizational structure.
00