Tag: molecule transfer

2 entries

InternS1-Mini Context-Conditioned Molecule Transfer Model

Quantum/Chemistry
A context-conditioned molecule transfer model based on InternS1-Mini, designed for drug-induced liver injury (DILI) related molecular transformation tasks in chemical reaction prediction and drug discovery.
See LICENSE file molecule transferdrug discoverychemical reaction prediction

Context-Conditioned Molecule Transfer Model for Carcinogens

ScientificML
A deep learning-based context-conditioned molecule transfer model designed for carcinogen-related molecular structure migration and generation in cheminformatics.
See LICENSE file molecule transferchemistry discoverymolecular generation

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