/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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