Author

Guillermo Marcos-Ayuso

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Open access Aug 2026

PockLigGPT: Pocket-Sequence-Conditioned Molecular Generation with GPTs and RL

PockLigGPT achieves competitive docking-oriented performance under a standardized evaluation protocol while maintaining chemical plausibility, favorable physicochemical profiles, and Lipinski-based drug-likeness.

Pablo Varas Pardo, Guillermo Marcos-Ayuso, Eugenia Ulzurrun et al. · Journal of Chemical Informat... · 0 citations