Lv3
226 积分 2024-07-11 加入
Observing non-covalent interactions in experimental electron density for macromolecular systems: A novel perspective for protein–ligand interaction research
8天前
已关闭
Electron-density informed effective and reliable de novo molecular design and lead optimization with ED2Mol
9天前
已完结
A predictive machine learning force field framework for liquid electrolyte development
10天前
已完结
A Unified Predictive and Generative Solution for Liquid Electrolyte Formulation
10天前
已完结
Virtual Excited State Reference for the Discovery of Electronic Materials Database: An Open-Access Resource for Ground and Excited State Properties of Organic Molecules
27天前
已完结
Capturing Excited State Proton Transfer Dynamics with Reactive Machine Learning Potentials
29天前
已完结
A collaborative constrained graph diffusion model for the generation of realistic synthetic molecules
1个月前
已完结
Physical insights into non-fullerene organic photovoltaics
1个月前
已完结
Proton shuttle-assisted triplet energy transfer
1个月前
已完结
DiffMC‐Gen: A Dual Denoising Diffusion Model for Multi‐Conditional Molecular Generation
1个月前
已完结
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