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biokinetics

Development of general methods for constructing and solving kinetic equations of complex reaction networks

git-lesson

iumslib

Utility libraries for IUMS-type neural network applications

keras-corn

Keras flavored corn

niobiums

App for interfacing with NeuralWare Pro, allows for easy-to-use Learn/Test file splitting and creation, as well as conversion of training results into plots compatible with PLATINUMS

nrel_polymers

Development of high-throughput structure generation and MD for NREL polymers projects

periodic-table

platinums

User-friendly application for general and automated neural network training and prediction with T-DMS and other mobility spectra

polymer_workbench

Development of integrated OpenFF- and OpenMM-based workflows for polymer MD

polymer_workspace

Development environment for OpenFF-related polymer simulation tools

polymerist

Polymer-Oriented LibrarY of Monomer-Expression Rules and In-silico Synthesis Tools

polymerist_examples

A collection of demos, vignettes, and tutorials for the polymerist polymer structure and MD package (https://github.com/timbernat/polymerist)

polysaccharide

Polymer-Oriented Library Yielding Structure Assignment, Calculation of CHARges, Interchange, and Data Elucidation

wasp_simulations

Repository for housing minimal reproducing scripts and chemical structures for water-soluble polymer (WaSP) MD studies