Repository for the work: Structure-Activity Relationships and Design of Focused Libraries Tailored for Staphylococcus aureus Inhibition

List of Molecular and Material design using Generative AI and Deep Learning

A Comprehensive Topological Complexity Indicator for Small Molecules

Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.

Physics Informed Deep Learning: Data-driven Solutions and Discovery of Nonlinear Partial Differential Equations

The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"

Graph Diffusion Policy Optimization

Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks

MCMG_V1

Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecular Fingerprint-embedded Encoding"

Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning

Deep Modular Co-Attention Networks for Visual Question Answering

Ankh: Optimized Protein Language Model

Cuda implementation of Extended Long Short Term Memory (xLSTM) with C++ and PyTorch ports

SailVina重构增强版

中国石油大学（华东）疫情防控通自动填报python版本