timbernat Goto Github PK
Type: User
timbernat's Projects
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
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
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