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GitHub / EdoardoGruppi / Drug_Design_Models
This project is a reimplementation of the models introduced in the following papers: "Multiobjective de novo drug design with recurrent neural networks and nondominated sorting", "REINVENT 2.0: An AI Tool for De Novo Drug Design", "Hierarchical generation of molecular graphs using structural motifs", "Mol-CycleGAN: a generative model for molecular optimization", "Multi-objective de novo drug design with conditional graph generative model" and "Graph convolutional policy network for goal-directed molecular graph generation".
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/EdoardoGruppi%2FDrug_Design_Models
Stars: 16
Forks: 6
Open Issues: 0
License: None
Language: Jupyter Notebook
Repo Size: 159 MB
Dependencies:
121
Created: almost 3 years ago
Updated: 2 months ago
Last pushed: almost 2 years ago
Last synced: about 2 months ago
Topics: drug-design, drug-discovery, graph-neural-networks, reinforcement-learning
Files
Dependencies
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