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# MolForge — a conditional SELFIES-VAE for de-novo molecule & battery-electrolyte design
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MolForge is a
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[SELFIES](https://github.com/aspuru-guzik-group/selfies) string representations of
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molecules. It learns a smooth 256-dimensional latent space you can **sample, traverse,
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and optimize**, and because it decodes SELFIES, **
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molecules**. It was built for de-novo design of drug-like molecules and, in particular,
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**battery-electrolyte solvents / additives** across chemistries (Li / Na / K / Mg / Zn / …).
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# MolForge — a conditional SELFIES-VAE for de-novo molecule & battery-electrolyte design
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MolForge is a 42M-parameter **conditional variational autoencoder** over
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[SELFIES](https://github.com/aspuru-guzik-group/selfies) string representations of
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molecules. It learns a smooth 256-dimensional latent space you can **sample, traverse,
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and optimize**, and because it decodes SELFIES, close to **100% of generated strings are valid
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molecules**. It was built for de-novo design of drug-like molecules and, in particular,
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**battery-electrolyte solvents / additives** across chemistries (Li / Na / K / Mg / Zn / …).
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