conftrace_

property optimization

10 papers

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Co-occurring keywords

molecule generation (58) deep generative model (143) generative model (2892) black-box guidance (1) data matching (2) molecular editing (3) synthesis planning (2) property enhancement (1) latent prompt (1) directed acyclic graph (245)

Papers

GP-MoLFormer-Sim: Test Time Molecular Optimization Through Contextual Similarity Guidance AAAI 2026
MoE-Guided Graph Diffusion for Oriented Molecule Design AAAI 2026
AgentDrug: Utilizing Large Language Models in an Agentic Workflow for Zero-Shot Molecular Editing EMNLP 2025
InstGAN: Instant Actor-Critic-Driven GAN for De Novo Molecule Generation and Property Optimization IJCAI 2025
Generative Co-Design of Antibody Sequences and Structures via Black-Box Guidance in a Shared Latent Space IJCAI 2025
Molecule Design by Latent Prompt Transformer NIPS 2024
Implicitly Guided Design with PropEn: Match your Data to Follow the Gradient NIPS 2024
DePLM: Denoising Protein Language Models for Property Optimization NIPS 2024
Barking up the right tree: an approach to search over molecule synthesis DAGs NIPS 2020
NEVAE: A Deep Generative Model for Molecular Graphs JMLR 2020