Chemical Engineering || Data Science || Cheminformatics || Artificial Intelligence.
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Louisiana State University
- Baton Rouge, Louisiana
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PolymerGen
PolymerGen PublicPolymer Structure Generator is a Python-based toolkit for generating 3D polymer structures in .pdb format. It supports a variety of topologies including: Ring polymers with grafted chains. Block co…
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molecular_simulations_workshop
molecular_simulations_workshop PublicForked from azomtony/molecular_simulations_workshop
Introductory hands-on tutorial for molecular dynamics simulation
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8th_workshop_MachineLearning
8th_workshop_MachineLearning PublicForked from icomse/8th_workshop_MachineLearning
Repository for 8th i-CoMSE Workshop in Machine Learning for Molecular Science
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