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5 search results found

Peptimizer ⭐ 51

Peptide optimization with Machine Learning

PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.

Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.

Polymer Graph Similarity ⭐ 6

Quantifying Pairwise Chemical Similarity for Polymers

rule-based virtual polymer library generator

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