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README.md
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A preprint with the details of the model and an optimization algorithm built on top of this model that sets state-of-the-art on Practical Molecular Optimization
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and other benchmarks will be released soon.
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The model is part of the 3-model family: [Chemlactica-125M](https://huggingface.co/yerevann/chemlactica-125m),
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[Chemlactica-1.3B](https://huggingface.co/yerevann/chemlactica-1.3b) and [Chemma-2B](https://huggingface.co/yerevann/chemma-2b).
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A preprint with the details of the model and an optimization algorithm built on top of this model that sets state-of-the-art on Practical Molecular Optimization
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and other benchmarks will be released soon.
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Few notes:
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* All queries should start with `</s>` symbol.
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* All numbers are rounded to two decimal points.
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* All SMILES are canonicalized using `rdkit`.
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* Available tags: `[CLOGP]`, `[WEIGHT]`, `[QED]`, `[SAS]`, `[TPSA]`, `[RINGCOUNT]`, `[SIMILAR]`...
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The model is part of the 3-model family: [Chemlactica-125M](https://huggingface.co/yerevann/chemlactica-125m),
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[Chemlactica-1.3B](https://huggingface.co/yerevann/chemlactica-1.3b) and [Chemma-2B](https://huggingface.co/yerevann/chemma-2b).
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