{"total":44,"rows":[{"id":"2203.04115","title":"Biological Sequence Design with GFlowNets","created":"2022-03-02","cited_by_count":174,"area":null},{"id":"2209.05481","title":"A Molecular Multimodal Foundation Model Associating Molecule Graphs with Natural Language","created":"2022-09-12","cited_by_count":131,"area":null},{"id":"2402.11592","title":"Revisiting Zeroth-Order Optimization for Memory-Efficient LLM Fine-Tuning: A Benchmark","created":"2024-02-18","cited_by_count":114,"area":null},{"id":"2203.14500","title":"MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design","created":"2022-03-28","cited_by_count":66,"area":null},{"id":"2208.11126","title":"Retrieval-based Controllable Molecule Generation","created":"2022-08-23","cited_by_count":44,"area":null},{"id":"2210.07209","title":"Computer-Aided Multi-Objective Optimization in Small Molecule Discovery","created":"2022-10-13","cited_by_count":31,"area":null},{"id":"2203.08031","title":"Data-Efficient Graph Grammar Learning for Molecular Generation","created":"2022-03-15","cited_by_count":26,"area":null},{"id":"2209.05582","title":"Graph Neural Networks for Molecules","created":"2022-09-12","cited_by_count":21,"area":null},{"id":"2107.02968","title":"Deep Extrapolation for Attribute-Enhanced Generation","created":"2021-07-07","cited_by_count":18,"area":null},{"id":"2207.03928","title":"Accelerating Material Design with the Generative Toolkit for Scientific Discovery","created":"2022-07-08","cited_by_count":16,"area":null},{"id":"2301.02120","title":"Reprogramming Pretrained Language Models for Protein Sequence Representation Learning","created":"2023-01-05","cited_by_count":12,"area":null},{"id":"2305.00386","title":"Importance Weighted Expectation-Maximization for Protein Sequence Design","created":"2023-04-30","cited_by_count":12,"area":null},{"id":"2202.07201","title":"Holistic Adversarial Robustness of Deep Learning Models","created":"2022-02-15","cited_by_count":11,"area":null},{"id":"2503.03503","title":"Collaborative Expert LLMs Guided Multi-Objective Molecular Optimization","created":"2025-03-05","cited_by_count":11,"area":null},{"id":"2208.09016","title":"Improving Small Molecule Generation using Mutual Information Machine","created":"2022-08-18","cited_by_count":10,"area":null},{"id":"2305.19303","title":"MAGNet: Motif-Agnostic Generation of Molecules from Shapes","created":"2023-05-30","cited_by_count":7,"area":null},{"id":"2310.03614","title":"Adversarial Machine Learning for Social Good: Reframing the Adversary as an Ally","created":"2023-10-05","cited_by_count":6,"area":null},{"id":"2405.08205","title":"Generative Enzyme Design Guided by Functionally Important Sites and Small-Molecule Substrates","created":"2024-05-13","cited_by_count":5,"area":null},{"id":"2308.10921","title":"Artificial intelligence-driven antimicrobial peptide discovery","created":"2023-08-21","cited_by_count":3,"area":null},{"id":"2310.02546","title":"Joint Design of Protein Sequence and Structure based on Motifs","created":"2023-10-04","cited_by_count":3,"area":null},{"id":"2310.04343","title":"Functional Geometry Guided Protein Sequence and Backbone Structure Co-Design","created":"2023-10-06","cited_by_count":2,"area":null},{"id":"2310.08685","title":"Kernel-Elastic Autoencoder for Molecular Design","created":"2023-10-12","cited_by_count":2,"area":null},{"id":"2506.05628","title":"GP-MoLFormer-Sim: Test Time Molecular Optimization through Contextual Similarity Guidance","created":"2025-06-05","cited_by_count":2,"area":null},{"id":"2511.10859","title":"Private Zeroth-Order Optimization with Public Data","created":"2025-11-13","cited_by_count":2,"area":null},{"id":"2110.05478","title":"An In-depth Summary of Recent Artificial Intelligence Applications in Drug Design","created":"2021-10-10","cited_by_count":1,"area":null},{"id":"2208.06665","title":"Cloud-Based Real-Time Molecular Screening Platform with MolFormer","created":"2022-08-13","cited_by_count":1,"area":null},{"id":"2212.08826","title":"Molecule optimization via multi-objective evolutionary in implicit chemical space","created":"2022-12-17","cited_by_count":1,"area":null},{"id":"2301.08750","title":"Domain-agnostic and Multi-level Evaluation of Generative Models","created":"2023-01-20","cited_by_count":1,"area":null},{"id":"2401.01398","title":"Accelerating Black-Box Molecular Property Optimization by Adaptively Learning Sparse Subspaces","created":"2024-01-02","cited_by_count":1,"area":null},{"id":"2504.03188","title":"Pairwise Optimal Transports for Training All-to-All Flow-Based Condition Transfer Model","created":"2025-04-04","cited_by_count":1,"area":null},{"id":"2606.00008","title":"Agents on a Tree: Pathwise Coordination for Multi-Objective Molecular Optimization","created":"2026-03-27","cited_by_count":1,"area":null},{"id":"2204.09042","title":"Accelerating Inhibitor Discovery With A Deep Generative Foundation Model: Validation for SARS-CoV-2 Drug Targets","created":"2022-04-19","cited_by_count":0,"area":null},{"id":"2207.07174","title":"Attribute Graphs Underlying Molecular Generative Models: Path to Learning with Limited Data","created":"2022-07-14","cited_by_count":0,"area":null},{"id":"2210.16099","title":"An Empirical Evaluation of Zeroth-Order Optimization Methods on AI-driven Molecule Optimization","created":"2022-10-27","cited_by_count":0,"area":null},{"id":"2301.03424","title":"An open unified deep graph learning framework for discovering drug leads","created":"2022-12-06","cited_by_count":0,"area":null},{"id":"2303.14291","title":"Applications of Gaussian Processes at Extreme Lengthscales: From Molecules to Black Holes","created":"2023-03-24","cited_by_count":0,"area":null},{"id":"2304.07445","title":"A framework for fully autonomous design of materials via multiobjective optimization and active learning: challenges and next steps","created":"2023-04-15","cited_by_count":0,"area":null},{"id":"2403.03425","title":"Sculpting Molecules in Text-3D Space: A Flexible Substructure Aware Framework for Text-Oriented Molecular Optimization","created":"2024-03-06","cited_by_count":0,"area":null},{"id":"2404.06691","title":"Latent Chemical Space Searching for Plug-in Multi-objective Molecule Generation","created":"2024-04-10","cited_by_count":0,"area":null},{"id":"2405.00753","title":"HMAMP: Hypervolume-Driven Multi-Objective Antimicrobial Peptides Design","created":"2024-05-01","cited_by_count":0,"area":null},{"id":"2406.02610","title":"MoFormer: Multi-objective Antimicrobial Peptide Generation Based on Conditional Transformer Joint Multi-modal Fusion Descriptor","created":"2024-06-03","cited_by_count":0,"area":null},{"id":"2512.24826","title":"Video and Language Alignment in 2D Systems for 3D Multi-object Scenes with Multi-Information Derivative-Free Control","created":"2025-12-31","cited_by_count":0,"area":null},{"id":"2601.13564","title":"Multi-objective fluorescent molecule design with a data-physics dual-driven generative framework","created":"2026-01-20","cited_by_count":0,"area":null},{"id":"2605.31346","title":"Wall-Clock Complexity for Zeroth-Order Optimization with Tunable Oracle Fidelity","created":"2026-05-29","cited_by_count":0,"area":null}],"next_cursor":null}