Lists (2)
Stars
A Clash GUI based on tauri. Supports Windows, macOS and Linux.
DrugHIVE: Structure-based drug design with a deep hierarchical generative model
an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets
Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
Generative Adversarial Network: Optimization in Targeted Design
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
Graphormer is a general-purpose deep learning backbone for molecular modeling.
Graph neural networks for molecular design.
For anyone who are eager to applying deep learning in bioinformatics!
A Python toolbox to work with molecular similarity
An accurate and universal protein-small molecule batch docking solution using Autodock Vina
科学上网，vpn机场推荐，支持shadowrocket，ss, ssr, v2ray, trojan, clash,clashr,需要自取（每日更新）
reference: DGL & RDKit | 基于Attentive FP可视化训练模型原子权重blog.csdn.net/u012325865/article/details/104868996
A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.