conftrace_

docking score

3 papers

Explore in graph

Co-occurring keywords · papers mentioning both

molecule generation (2) drug discovery (2) graph neural network (1) binding affinity (1) synthetic accessibility (1) structure-based drug design (1) equivariant diffusion (1) virtual screening (1) diffusion model (1) similarity search (1)

Papers

Bridging the Gap between Learning and Inference for Diffusion-Based Molecule Generation ACML 2025 Reframing Structure-Based Drug Design Model Evaluation via Metrics Correlated to Practical Needs ICLR 2025 Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation ICLR 2024