MolE: a molecular foundation model for drug discovery

3 November 2022

Papers citing "MolE: a molecular foundation model for drug discovery"

10 / 10 papers shown

Title
A Comprehensive Survey of Foundation Models in Medicine Wasif Khan Seowung Leem Kyle B. See Joshua K. Wong Shaoting Zhang R. Fang AI4CE LM&MA VLM 105 19 0 17 Jan 2025
Improving Agent Behaviors with RL Fine-tuning for Autonomous Driving Zhenghao Peng Wenjie Luo Yiren Lu Tianyi Shen Cole Gulino Ari Seff Justin Fu 26 6 0 26 Sep 2024
Provable In-Context Learning of Linear Systems and Linear Elliptic PDEs with Transformers Frank Cole Yulong Lu Riley OÑeill Tianhao Zhang 48 2 0 18 Sep 2024
Beyond Efficiency: Molecular Data Pruning for Enhanced Generalization Dingshuo Chen Zhixun Li Yuyan Ni Guibin Zhang Ding Wang Qiang Liu Shu Wu Jeffrey Xu Yu Liang Wang 54 4 0 02 Sep 2024
Global Human-guided Counterfactual Explanations for Molecular Properties via Reinforcement Learning Danqing Wang Antonis Antoniades Kha-Dinh Luong Edwin Zhang Mert Kosan Jiachen Li Ambuj Singh William Yang Wang Lei Li AI4CE 42 0 0 19 Jun 2024
$$\texttt{MiniMol}$: A Parameter-Efficient Foundation Model for Molecular Learning$ $\texttt{MiniMol}$ : A Parameter-Efficient Foundation Model for Molecular Learning Kerstin Klaser Bla.zej Banaszewski S. Maddrell-Mander Callum McLean Luis Muller Alipanah Parviz Shenyang Huang Andrew Fitzgibbon AI4CE 53 5 0 23 Apr 2024
On the Scalability of GNNs for Molecular Graphs Maciej Sypetkowski Frederik Wenkel Farimah Poursafaei Nia Dickson Karush Suri Philip Fradkin Dominique Beaini GNN AI4CE 47 13 0 17 Apr 2024
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets Dominique Beaini Shenyang Huang Joao Alex Cunha Zhiyi Li Gabriela Moisescu-Pareja ... Thérence Bois Andrew Fitzgibbon Bla.zej Banaszewski Chad Martin Dominic Masters AI4CE 30 19 0 06 Oct 2023
Artificial Intelligence for Drug Discovery: Are We There Yet? C. Hasselgren Tudor I. Oprea 21 62 0 13 Jul 2023
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 248 1,787 0 02 Mar 2017