Tag: molecular generation
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Equivariant Asynchronous Diffusion for Fast Molecular Generation
Discover Equivariant Asynchronous Diffusion, an adaptive denoising method that accelerates accurate 3D molecular conformation generation.
SmilesGEN: Multi-Objective RL for Drug Molecule Design
Discover SmilesGEN, a novel model using multi-objective reinforcement learning to generate drug-like molecules with targeted phenotypic effects.
Reward Weighted Guidance for Efficient Autoregressive Models
Optimize autoregressive models with Reward Weighted Classifier-Free Guidance for faster policy improvement and flexible reward adaptation without retrainin...
MolPaQ: Quantum-Classical Model for Valid Molecular Design
Discover MolPaQ, a modular quantum-classical model ensuring valid, diverse, and interpretable molecular generation with enhanced drug-like quality.
MolDA: Advanced Molecular Generation with Diffusion Models
Discover MolDA, a novel Large Language Diffusion Model enhancing molecular generation, validity, and property prediction for drug discovery.