GuacaMol

Dataset Card for "guacamol" More Information needed

Papers using GuacaMol (12)

De Novo Molecular Design Enabled by Direct Preference Optimization and Curriculum Learning2025 · 8 citesA Dataset for Distilling Knowledge Priors from Literature for Therapeutic Design2025 · 1 citesLeveraging Partial SMILES Validation Scheme for Enhanced Drug Design in Reinforcement Learning Frameworks2025 · 2 citesHybridMolGen: a unified framework for goal-directed molecular generation via multi-objective reinforcement learning2026Purely Agentic Black-Box Optimization for Biological Design2026Graph VQ-Transformer (GVT): Fast and Accurate Molecular Generation via High-Fidelity Discrete Latents2025STAR-VAE: Latent Variable Transformers for Scalable and Controllable Molecular Generation2025Discrete Bayesian Sample Inference for Graph Generation2025DiGress: Discrete Denoising diffusion for graph generation2022 · 71 citesDe novo Drug Design using Reinforcement Learning with Multiple GPT Agents2024 · 6 citesLift Your Molecules: Molecular Graph Generation in Latent Euclidean Space2024 · 1 citesAn Empirical Evaluation of Zeroth-Order Optimization Methods on AI-driven Molecule Optimization2022