CrossDocked-2020
Emerging23papers using it
2022first seen
The 'CrossDocked-2020' dataset/benchmark contains protein-ligand docking data and is used to evaluate the performance of models in structure-based drug design, particularly in predicting binding affinities and generating chemically valid molecules.
Papers using CrossDocked-2020 (23)
- Generative Flows on Synthetic Pathway for Drug DesignPrior-Guided Flow Matching for Target-Aware Molecule Design with Learnable Atom NumberEmpower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow NetworksBoKDiff: Best-of-K Diffusion Alignment for Target-Specific 3D Molecule GenerationShallowBench: Benchmarking Generative Drug Design Models on Shallow-Pocket TargetsFine-tuning Pocket-Aware Diffusion Models via Denoising Policy OptimizationEmpowering LLMs for Structure-Based Drug Design via Exploration-Augmented Latent InferenceSiDGen: Structure-informed Diffusion for Generative modeling of Ligands for ProteinsMolChord: Structure-Sequence Alignment for Protein-Guided Drug DesignTransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug DesignBridging the Gap between Learning and Inference for Diffusion-Based Molecule GenerationDecomposed Direct Preference Optimization for Structure-Based Drug DesignDecompDiff: Diffusion Models with Decomposed Priors for Structure-Based
Drug DesignBinding-Adaptive Diffusion Models for Structure-Based Drug DesignAUTODIFF: Autoregressive Diffusion Modeling for Structure-based Drug
DesignAligning Target-Aware Molecule Diffusion Models with Exact Energy
OptimizationTacoGFN: Target-conditioned GFlowNet for Structure-based Drug DesignStabilizing Policy Gradients for Stochastic Differential Equations via
Consistency with Perturbation ProcessSemi-Equivariant Continuous Normalizing Flows for Target-Aware Molecule
GenerationPILOT: Equivariant diffusion for pocket conditioned de novo ligand generation with multi-objective guidance via importance samplingGeometric-informed GFlowNets for Structure-Based Drug DesignManifold-Constrained Nucleus-Level Denoising Diffusion Model for
Structure-Based Drug DesignRectified Flow For Structure Based Drug Design