Tc-43/SAMTOR_Novel_Target_Designs_GA-II
SAMTOR — SAM-competitive de novo designs (Technetium GA-II) 196 small molecules across two generations, generated de novo by the Technetium TC-43.ai engine (GA-II) and conditioned on the S-adenosylmethionine (SAM) pocket of human SAMTOR. Each molecule was constructed against this pocket rather than selected from a compound library — docking (AutoDock Vina) came afterwards, to place and score the generated molecules in the site. With no approved drug, clinical candidate or… See the full description on the dataset page: https://huggingface.co/datasets/Tc-43/SAMTOR_Novel_Target_Designs_GA-II.
| Author / organization | Tc-43 |
|---|---|
| License (as declared) | cc-by-4.0 |
| Downloads | 149 (as reported by Hugging Face) |
| Likes | 0 |
| Created | 26 August 2026 |
| Last updated at source | 16 September 2026 |
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