:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Fu, Tianfan, Xiao, Cao, Li, Xinhao, Glass, Lucas M., Sun, Jimeng
Format:	Preprint
Published:	2020
Subjects:	Machine Learning Artificial Intelligence
Online Access:	https://arxiv.org/abs/2010.02318
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations
by: Jiang, Pengcheng, et al.
Published: (2023)

TrialBench: Multi-Modal Artificial Intelligence-Ready Clinical Trial Datasets
by: Chen, Jintai, et al.
Published: (2024)

Molecular De Novo Design through Transformer-based Reinforcement Learning
by: Xu, Pengcheng, et al.
Published: (2023)

GraphCare: Enhancing Healthcare Predictions with Personalized Knowledge Graphs
by: Jiang, Pengcheng, et al.
Published: (2023)

MediTab: Scaling Medical Tabular Data Predictors via Data Consolidation, Enrichment, and Refinement
by: Wang, Zifeng, et al.
Published: (2023)

Large Language Models for Controllable Multi-property Multi-objective Molecule Optimization
by: Dey, Vishal, et al.
Published: (2025)

Certifiably Byzantine-Robust Federated Conformal Prediction
by: Kang, Mintong, et al.
Published: (2024)

Ranking over Regression for Bayesian Optimization and Molecule Selection
by: Tom, Gary, et al.
Published: (2024)

CombiMOTS: Combinatorial Multi-Objective Tree Search for Dual-Target Molecule Generation
by: Southiratn, Thibaud, et al.
Published: (2026)

MolWorld: Molecule World Models for Actionable Molecular Optimization
by: Qiao, Yang, et al.
Published: (2026)

GeLLMO: Generalizing Large Language Models for Multi-property Molecule Optimization
by: Dey, Vishal, et al.
Published: (2025)

DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning
by: Xie, Jiaqing, et al.
Published: (2024)

Guiding Diffusion Models with Reinforcement Learning for Stable Molecule Generation
by: Zhou, Zhijian, et al.
Published: (2025)

ControllableGPT: A Ground-Up Designed Controllable GPT for Molecule Optimization
by: Liu, Xuefeng, et al.
Published: (2025)

Geometric Representation Condition Improves Equivariant Molecule Generation
by: Li, Zian, et al.
Published: (2024)

Deciphering Scientific Reasoning Steps from Outcome Data for Molecule Optimization
by: Liu, Zequn, et al.
Published: (2026)

ControlMol: Adding Substructure Control To Molecule Diffusion Models
by: Zhengyang, Qi, et al.
Published: (2024)

UniIF: Unified Molecule Inverse Folding
by: Gao, Zhangyang, et al.
Published: (2024)

Molecule Generation for Drug Design: a Graph Learning Perspective
by: Yang, Nianzu, et al.
Published: (2022)

Language Interaction Network for Clinical Trial Approval Estimation
by: Gao, Chufan, et al.
Published: (2024)

InertialAR: Autoregressive 3D Molecule Generation with Inertial Frames
by: Li, Haorui, et al.
Published: (2025)

QCS-ADME: Quantum Circuit Search for Drug Property Prediction with Imbalanced Data and Regression Adaptation
by: Zheng, Kangyu, et al.
Published: (2025)

KMM-CP: Practical Conformal Prediction under Covariate Shift via Selective Kernel Mean Matching
by: Laghuvarapu, Siddhartha, et al.
Published: (2026)

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

MultiPUFFIN: A Multimodal Domain-Constrained Foundation Model for Molecular Property Prediction of Small Molecules
by: Nogueira, Idelfonso B. R., et al.
Published: (2026)

FlashMol: High-Quality Molecule Generation in as Few as Four Steps
by: Wei, Xinyuan, et al.
Published: (2026)

AROMMA: Unifying Olfactory Embeddings for Single Molecules and Mixtures
by: Kang, Dayoung, et al.
Published: (2026)

Auto-encoding Molecules: Graph-Matching Capabilities Matter
by: Cunow, Magnus, et al.
Published: (2025)

MHGNet: Multi-Heterogeneous Graph Neural Network for Traffic Prediction
by: Wu, Mei, et al.
Published: (2025)

TAGMol: Target-Aware Gradient-guided Molecule Generation
by: Dorna, Vineeth, et al.
Published: (2024)

Cross-Table Pretraining towards a Universal Function Space for Heterogeneous Tabular Data
by: Chen, Jintai, et al.
Published: (2024)

Towards Physiologically Sensible Predictions via the Rule-based Reinforcement Learning Layer
by: Zhu, Lingwei, et al.
Published: (2025)

Repurformer: Transformers for Repurposing-Aware Molecule Generation
by: Lee, Changhun, et al.
Published: (2024)

CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph
by: Lin, Haitao, et al.
Published: (2024)

ConfHit: Conformal Generative Design with Oracle Free Guarantees
by: Laghuvarapu, Siddhartha, et al.
Published: (2026)

Synthetic Patient-Physician Dialogue Generation from Clinical Notes Using LLM
by: Das, Trisha, et al.
Published: (2024)

Neural Signals Generate Clinical Notes in the Wild
by: Pradeepkumar, Jathurshan, et al.
Published: (2026)

MindMap: Knowledge Graph Prompting Sparks Graph of Thoughts in Large Language Models
by: Wen, Yilin, et al.
Published: (2023)

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

Learning Disentangled Equivariant Representation for Explicitly Controllable 3D Molecule Generation
by: Liu, Haoran, et al.
Published: (2024)