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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12:10
(UTC -12:00) - https://orcid.org/0000-0002-1323-9550
Pinned Loading
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polymerist
polymerist PublicPolymer-Oriented LibrarY of Monomer-Expression Rules and In-silico Synthesis Tools
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openforcefield/openff-interchange
openforcefield/openff-interchange PublicA project (and object) for storing, manipulating, and converting molecular mechanics data.
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polymerist_examples
polymerist_examples PublicA collection of demos, vignettes, and tutorials for the polymerist polymer structure and MD package (https:/timbernat/polymerist)
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openforcefield/openff-toolkit
openforcefield/openff-toolkit PublicThe Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
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openforcefield/polymer_examples
openforcefield/polymer_examples PublicExample polymers for testing.
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biokinetics
biokinetics PublicDevelopment of general methods for constructing and solving kinetic equations of complex reaction networks
Jupyter Notebook
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