/tools/molecular_synthesis_and_reconstruction
molecular_synthesis_and_reconstruction
leonardopicchiami/molecular_synthesis_and_reconstruction
13 stars3 forksJupyter NotebookAdded February 4, 2026
summary
This repository contains a deep learning project aimed at reconstructing and generating molecules from low-dimensional representations. It utilizes Variational Autoencoders (VAEs) and employs the ZINC250K dataset for training and evaluation, making it a relevant tool for molecular design.
description
Deep Learning And Applied Artificial Intelligence Project 2019/2020 - Molecular Synthesis & Reconstruction
topics
molecular-generationsynthesisreconstructionmachine-learningdeep-learningdeep-generative-modelmoleculesvaevae-pytorchpytorchpythoncolabmolecule-generation
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