热点
"分子生成" 相关文章
Distributional Multi-objective Black-box Optimization for Diffusion-model Inference-time Multi-Target Generation
cs.AI updates on arXiv.org 2025-10-31T04:07:01.000000Z
Augmenting generative models with biomedical knowledge graphs improves targeted drug discovery
cs.AI updates on arXiv.org 2025-10-14T04:16:40.000000Z
Constrained Adaptive Rejection Sampling
cs.AI updates on arXiv.org 2025-10-03T04:07:52.000000Z
PhenoMoler: Phenotype-Guided Molecular Optimization via Chemistry Large Language Model
cs.AI updates on arXiv.org 2025-09-29T04:13:27.000000Z
Chem. Rev. | 图神经网络赋能现代AI药物发现(综述)
智源社区 2025-09-19T17:35:58.000000Z
Auxiliary Discrminator Sequence Generative Adversarial Networks (ADSeqGAN) for Few Sample Molecule Generation
cs.AI updates on arXiv.org 2025-09-15T08:36:26.000000Z
Nat. Commun. | 引导等变扩散驱动的靶标感知三维分子生成
智源社区 2025-08-28T12:35:20.000000Z
Cross-Modality Controlled Molecule Generation with Diffusion Language Model
cs.AI updates on arXiv.org 2025-08-21T04:04:20.000000Z
Cross-Modality Controlled Molecule Generation with Diffusion Language Model
cs.AI updates on arXiv.org 2025-08-21T04:04:20.000000Z
BARNN: A Bayesian Autoregressive and Recurrent Neural Network
cs.AI updates on arXiv.org 2025-07-22T04:44:46.000000Z
入选ICML 2025，Meta/剑桥/MIT提出全原子扩散Transformer框架，首次实现周期性与非周期性原子系统统一生成
36氪 - 科技频道 2025-07-14T09:49:43.000000Z
Unraveling the Potential of Diffusion Models in Small Molecule Generation
cs.AI updates on arXiv.org 2025-07-14T04:08:21.000000Z
MODA: A Unified 3D Diffusion Framework for Multi-Task Target-Aware Molecular Generation
cs.AI updates on arXiv.org 2025-07-11T04:04:04.000000Z
入选ICML 2025，清华/人大/字节提出首个跨分子种类统一生成框架UniMoMo，实现多类型药物分子设计
掘金 人工智能 2025-05-28T07:28:03.000000Z
入选ICML 2025，清华/人大/字节提出首个跨分子种类统一生成框架UniMoMo，实现多类型药物分子设计
智源社区 2025-05-28T03:52:52.000000Z
J. Cheminform. | 基于活性悬崖感知强化学习的全新药物设计
智源社区 2025-05-03T05:23:32.000000Z
Adv. Sci. | 基于帕累托算法和蒙特卡洛树搜索的多目标分子生成方法
智源社区 2025-04-08T08:37:43.000000Z
Adv. Sci. | 双扩散模型结合多目标优化策略助力3D小分子药物设计
智源社区 2025-04-06T11:47:53.000000Z
首次实现分子生成与性质预测的统一，清华团队提出两阶段扩散生成机制，入选ICLR 2025
智源社区 2025-03-06T07:22:13.000000Z
Evaluating GenMol as a Generalist Foundation Model for Molecular Generation
Nvidia Developer 2025-02-16T15:07:09.000000Z