Molecule Generation
Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation
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This repository contains training and inference code for the MoLeR model introduced in Learning to Extend Molecular Scaffolds with Structural Motifs. We also include our implementation of CGVAE, but without integration with the high-level model interface.
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- 328
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- 49
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- MIT
- Last commit
- 3 years ago
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