Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

MoFlow: an invertible flow model for generating molecular graphs

SE(3) Equivariant Flow Matching for Property-Guided Conditional Molecular Generation.

Codes for our paper "Programming Biomolecular Interactions with All-Atom Generative Model"

A tool for spatially-aware molecule design and optimisation via Equivariant Diffusion and GCN

(differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)

Implementation of the algorithm detailed in paper "Evolutionary design of molecules based on deep learning and a genetic algorithm"

Official code for the paper "GraphXForm: Graph transformer for computer-aided molecular design"

Transform Claude into a local AI assistant for Mac that controls apps, manages tasks, and remembers context across sessions.

AI-powered drug discovery platform integrating intelligent knowledge search, molecule design, 3D visualization, patient-specific safety evaluation, hypothesis generation, and automated report generation. Developed as part of the PI-CDIO program at Esprit School of Engineering.