:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Li, Junren, Fang, Lei, Lou, Jian-Guang
Format:	Preprint
Published:	2023
Subjects:	Machine Learning Artificial Intelligence Biomolecules
Online Access:	https://arxiv.org/abs/2311.06304
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

RetroBridge: Modeling Retrosynthesis with Markov Bridges
by: Igashov, Ilia, et al.
Published: (2023)

Atom-anchored LLMs speak Chemistry: A Retrosynthesis Demonstration
by: Hassen, Alan Kai, et al.
Published: (2025)

Protect$^*$: Steerable Retrosynthesis through Neuro-Symbolic State Encoding
by: Sathyanarayana, Shreyas Vinaya, et al.
Published: (2026)

Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning
by: Torren-Peraire, Paula, et al.
Published: (2023)

Contextual Molecule Representation Learning from Chemical Reaction Knowledge
by: Tang, Han, et al.
Published: (2024)

Improving Protein Sequence Design through Designability Preference Optimization
by: Xue, Fanglei, et al.
Published: (2025)

TourSynbio: A Multi-Modal Large Model and Agent Framework to Bridge Text and Protein Sequences for Protein Engineering
by: Shen, Yiqing, et al.
Published: (2024)

Scalable and Cost-Efficient de Novo Template-Based Molecular Generation
by: Gaiński, Piotr, et al.
Published: (2025)

Unifying Sequences, Structures, and Descriptions for Any-to-Any Protein Generation with the Large Multimodal Model HelixProtX
by: Chen, Zhiyuan, et al.
Published: (2024)

TaxDiff: Taxonomic-Guided Diffusion Model for Protein Sequence Generation
by: Zongying, Lin, et al.
Published: (2024)

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

ProtFlow: Fast Protein Sequence Design via Flow Matching on Compressed Protein Language Model Embeddings
by: Kong, Zitai, et al.
Published: (2025)

Biology-Instructions: A Dataset and Benchmark for Multi-Omics Sequence Understanding Capability of Large Language Models
by: He, Haonan, et al.
Published: (2024)

Reinforcement Learning for Sequence Design Leveraging Protein Language Models
by: Subramanian, Jithendaraa, et al.
Published: (2024)

Generative AI for Controllable Protein Sequence Design: A Survey
by: Zhu, Yiheng, et al.
Published: (2024)

Protein Representation Learning by Capturing Protein Sequence-Structure-Function Relationship
by: Ko, Eunji, et al.
Published: (2024)

PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein Interaction Prediction
by: Wu, Lirong, et al.
Published: (2024)

Prot2Chat: Protein LLM with Early-Fusion of Text, Sequence and Structure
by: Wang, Zhicong, et al.
Published: (2025)

RosettaSearch: Multi-Objective Inference-Time Search for Protein Sequence Design
by: Kshirsagar, Meghana, et al.
Published: (2026)

ProteinEngine: Empower LLM with Domain Knowledge for Protein Engineering
by: Shen, Yiqing, et al.
Published: (2024)

Reaction Prediction via Interaction Modeling of Symmetric Difference Shingle Sets
by: Shi, Runhan, et al.
Published: (2025)

Auxiliary Discrminator Sequence Generative Adversarial Networks (ADSeqGAN) for Few Sample Molecule Generation
by: Tang, Haocheng, et al.
Published: (2025)

AF2-Mutation: Adversarial Sequence Mutations against AlphaFold2 on Protein Tertiary Structure Prediction
by: Yuan, Zhongju, et al.
Published: (2023)

log-RRIM: Yield Prediction via Local-to-global Reaction Representation Learning and Interaction Modeling
by: Hu, Xiao, et al.
Published: (2024)

Deep-Learning Investigation of Vibrational Raman Spectra for Plant-Stress Analysis
by: Patil, Anoop C., et al.
Published: (2025)

A Foundation Chemical Language Model for Comprehensive Fragment-Based Drug Discovery
by: Ho, Alexander, et al.
Published: (2025)

Auto-ADMET: An Effective and Interpretable AutoML Method for Chemical ADMET Property Prediction
by: de Sá, Alex G. C., et al.
Published: (2025)

KnowMol: Advancing Molecular Large Language Models with Multi-Level Chemical Knowledge
by: Yang, Zaifei, et al.
Published: (2025)

A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein Generation
by: Tang, Xiangru, et al.
Published: (2024)

PSBench: a large-scale benchmark for estimating the accuracy of protein complex structural models
by: Neupane, Pawan, et al.
Published: (2025)

DeepRetro: Retrosynthetic Pathway Discovery using Iterative LLM Reasoning
by: Sathyanarayana, Shreyas Vinaya, et al.
Published: (2025)

Bridge-IF: Learning Inverse Protein Folding with Markov Bridges
by: Zhu, Yiheng, et al.
Published: (2024)

A Generalist Cross-Domain Molecular Learning Framework for Structure-Based Drug Discovery
by: Zhu, Yiheng, et al.
Published: (2025)

Full-Atom Peptide Design based on Multi-modal Flow Matching
by: Li, Jiahan, et al.
Published: (2024)

Orientation-Aware Graph Neural Networks for Protein Structure Representation Learning
by: Li, Jiahan, et al.
Published: (2022)

ProtCLIP: Function-Informed Protein Multi-Modal Learning
by: Zhou, Hanjing, et al.
Published: (2024)

OmegAMP: Targeted AMP Discovery through Biologically Informed Generation
by: Soares, Diogo, et al.
Published: (2025)

FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation
by: Gao, Kaiyuan, et al.
Published: (2024)

A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
by: Liu, Shengchao, et al.
Published: (2023)

Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension
by: Li, Jiahan, et al.
Published: (2024)