:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Xiao, Teng, Cui, Chao, Zhu, Huaisheng, Honavar, Vasant G.
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Biomolecules
Online Access:	https://arxiv.org/abs/2411.10821
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

3M-Diffusion: Latent Multi-Modal Diffusion for Language-Guided Molecular Structure Generation
by: Zhu, Huaisheng, et al.
Published: (2024)

MolBind: Multimodal Alignment of Language, Molecules, and Proteins
by: Xiao, Teng, et al.
Published: (2024)

DrugCLIP: Contrastive Drug-Disease Interaction For Drug Repurposing
by: Lu, Yingzhou, et al.
Published: (2024)

Bridging Text and Molecule: A Survey on Multimodal Frameworks for Molecule
by: Xiao, Yi, et al.
Published: (2024)

EnzyCLIP: A Cross-Attention Dual Encoder Framework with Contrastive Learning for Predicting Enzyme Kinetic Constants
by: Khan, Anas Aziz, et al.
Published: (2025)

S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
by: Zhou, Gengmo, et al.
Published: (2024)

How to Leverage Demonstration Data in Alignment for Large Language Model? A Self-Imitation Learning Perspective
by: Xiao, Teng, et al.
Published: (2024)

Structure-Based Drug Design via 3D Molecular Generative Pre-training and Sampling
by: Yang, Yuwei, et al.
Published: (2024)

MolPIF: A Parameter Interpolation Flow Model for Molecule Generation
by: Jin, Yaowei, et al.
Published: (2025)

Exploiting Pre-trained Models for Drug Target Affinity Prediction with Nearest Neighbors
by: Pei, Qizhi, et al.
Published: (2024)

Thin Bridges for Drug Text Alignment: Lightweight Contrastive Learning for Target Specific Drug Retrieval
by: Tupakula, Mallikarjuna
Published: (2025)

Towards 3D Molecule-Text Interpretation in Language Models
by: Li, Sihang, et al.
Published: (2024)

Pre-training of Molecular GNNs via Conditional Boltzmann Generator
by: Koge, Daiki, et al.
Published: (2023)

Cal-DPO: Calibrated Direct Preference Optimization for Language Model Alignment
by: Xiao, Teng, et al.
Published: (2024)

Molecule Design by Latent Prompt Transformer
by: Kong, Deqian, et al.
Published: (2024)

Molecule Design by Latent Prompt Transformer
by: Kong, Deqian, et al.
Published: (2023)

AdaMR: Adaptable Molecular Representation for Unified Pre-training Strategy
by: Ding, Yan, et al.
Published: (2023)

S$^2$ALM: Sequence-Structure Pre-trained Large Language Model for Comprehensive Antibody Representation Learning
by: Yin, Mingze, et al.
Published: (2024)

MUDiff: Unified Diffusion for Complete Molecule Generation
by: Hua, Chenqing, et al.
Published: (2023)

Sculpting Molecules in Text-3D Space: A Flexible Substructure Aware Framework for Text-Oriented Molecular Optimization
by: Zhang, Kaiwei, et al.
Published: (2024)

Benchmarking Large Language Models for Molecule Prediction Tasks
by: Zhong, Zhiqiang, et al.
Published: (2024)

Representing Molecules as Random Walks Over Interpretable Grammars
by: Sun, Michael, et al.
Published: (2024)

DecoyDB: A Dataset for Graph Contrastive Learning in Protein-Ligand Binding Affinity Prediction
by: Zhang, Yupu, et al.
Published: (2025)

Tokenizing 3D Molecule Structure with Quantized Spherical Coordinates
by: Gao, Kaiyuan, et al.
Published: (2024)

Scaling Structure Aware Virtual Screening to Billions of Molecules with SPRINT
by: McNutt, Andrew T., et al.
Published: (2024)

Cell Morphology-Guided Small Molecule Generation with GFlowNets
by: Lu, Stephen Zhewen, et al.
Published: (2024)

Attention Based Molecule Generation via Hierarchical Variational Autoencoder
by: Sivanesan, Divahar
Published: (2024)

Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space
by: Ketata, Mohamed Amine, et al.
Published: (2024)

SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints
by: Cretu, Miruna, et al.
Published: (2024)

Preference Optimization for Molecule Synthesis with Conditional Residual Energy-based Models
by: Liu, Songtao, et al.
Published: (2024)

Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and Elaboration
by: Lin, Haitao, et al.
Published: (2023)

Any-Property-Conditional Molecule Generation with Self-Criticism using Spanning Trees
by: Jolicoeur-Martineau, Alexia, et al.
Published: (2024)

Exploring Discrete Flow Matching for 3D De Novo Molecule Generation
by: Dunn, Ian, et al.
Published: (2024)

FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction
by: Telepov, Alexander, et al.
Published: (2024)

A Review on Fragment-based De Novo 2D Molecule Generation
by: Voloboev, Sergei
Published: (2024)

DiffBP: Generative Diffusion of 3D Molecules for Target Protein Binding
by: Lin, Haitao, et al.
Published: (2022)

Unified Guidance for Geometry-Conditioned Molecular Generation
by: Ayadi, Sirine, et al.
Published: (2025)

Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule Generation
by: Dunn, Ian, et al.
Published: (2024)

Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation
by: Daigavane, Ameya, et al.
Published: (2023)

Multi-Alignment Contrastive Learning for Enzyme--Reaction Retrieval
by: Zhou, Gengmo, et al.
Published: (2025)