conftrace_

molecular generation

78 papers

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Co-occurring keywords

diffusion model (3751) drug design (28) drug discovery (119) graph neural network (3962) variational autoencoder (1288) generative model (2892) reinforcement learning (4352) equivariant neural network (75) protein structure (59) molecule generation (58)

Papers

Binding-Adaptive Diffusion Models for Structure-Based Drug Design AAAI 2024
Full-Atom Peptide Design with Geometric Latent Diffusion NIPS 2024
Discrete-state Continuous-time Diffusion for Graph Generation NIPS 2024
Language + Molecules EACL 2024
Generating Novel Leads for Drug Discovery Using LLMs with Logical Feedback AAAI 2024
SciMind: A Multimodal Mixture-of-Experts Model for Advancing Pharmaceutical Sciences ACL 2024
TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency Models NIPS 2024
Graph Diffusion Transformers for Multi-Conditional Molecular Generation NIPS 2024
Navigating Chemical Space with Latent Flows NIPS 2024
Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design NIPS 2024
FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling NIPS 2024
Pessimistic Backward Policy for GFlowNets NIPS 2024
Unified Guidance for Geometry-Conditioned Molecular Generation NIPS 2024
Equivariant flow matching NIPS 2023
SE(3) diffusion model with application to protein backbone generation ICML 2023
Trans-Dimensional Generative Modeling via Jump Diffusion Models NIPS 2023
DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design ICML 2023
MDM: Molecular Diffusion Model for 3D Molecule Generation AAAI 2023
Learning Subpocket Prototypes for Generalizable Structure-based Drug Design ICML 2023
MolXPT: Wrapping Molecules with Text for Generative Pre-training ACL 2023
De novo Drug Design using Reinforcement Learning with Multiple GPT Agents NIPS 2023
End-to-End Full-Atom Antibody Design ICML 2023
Full-Atom Protein Pocket Design via Iterative Refinement NIPS 2023
AbDiffuser: full-atom generation of in-vitro functioning antibodies NIPS 2023
LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion NIPS 2023