conftrace_

molecular generation

110 papers

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Co-occurring keywords · papers mentioning both

diffusion model (28) drug discovery (24) drug design (21) graph neural network (21) generative model (16) reinforcement learning (11) variational autoencoder (9) graph generation (8) equivariant neural network (7) generative flow network (6)

Papers

MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks ICLR 2025 Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning ICLR 2025 nach0-pc: Multi-task Language Model with Molecular Point Cloud Encoder AAAI 2025 Periodic Materials Generation using Text-Guided Joint Diffusion Model ICLR 2025 Phenotypic Profile-Informed Generation of Drug-Like Molecules via Dual-Channel Variational Autoencoders IJCAI 2025 Reinforcement Learning with Adaptive Reward Modeling for Expensive-to-Evaluate Systems ICML 2025 SemlaFlow – Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching AISTATS 2025 ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design ICLR 2025 SymDiff: Equivariant Diffusion via Stochastic Symmetrisation ICLR 2025 Synergy of GFlowNet and Protein Language Model Makes a Diverse Antibody Designer AAAI 2025 SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints ICLR 2025 Topological Zigzag Spaghetti for Diffusion-based Generation and Prediction on Graphs ICLR 2025 Training Text-to-Molecule Models with Context-Aware Tokenization EMNLP 2025 UniGEM: A Unified Approach to Generation and Property Prediction for Molecules ICLR 2025 Binding-Adaptive Diffusion Models for Structure-Based Drug Design AAAI 2024 Conditional Synthesis of 3D Molecules with Time Correction Sampler NeurIPS 2024 Data-Efficient Molecular Generation with Hierarchical Textual Inversion ICML 2024 Discrete-state Continuous-time Diffusion for Graph Generation NeurIPS 2024 Domain-Agnostic Molecular Generation with Chemical Feedback ICLR 2024 FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling NeurIPS 2024 Full-Atom Peptide Design with Geometric Latent Diffusion NeurIPS 2024 Generating Novel Leads for Drug Discovery Using LLMs with Logical Feedback AAAI 2024 Graph Diffusion Transformers for Multi-Conditional Molecular Generation NeurIPS 2024 Hybrid Generative AI for De Novo Design of Co-Crystals with Enhanced Tabletability NeurIPS 2024 Language + Molecules EACL 2024