Graduate student at University of Colorado Boulder,
developing systematic approaches for polymer representation and system setup for molecular dynamics
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University of Colorado Boulder
- Boulder, CO
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01:24
(UTC -12:00) - https://orcid.org/0000-0002-1323-9550
Highlights
- Pro
Stars
Some useful RDKit functions
Examples for the signac framework.
New, independent implementation of `Topology.from_pdb`
Practical Cheminformatics Tutorials
A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures
A primer on software development best practices for computational chemistry
MDANCE is a flexible n-ary clustering package for all applications.
RadonPy is a Python library to automate physical property calculations for polymer informatics.
Python interface for Enhanced Monte Carlo (EMC)