HongxinXiang

pytorch-multi-GPU-training-tutorial. Python

awesome-ai-bioinformatics. A curated list of awesome AI and Bioinformatics.

ImageMol. ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.

VideoMol. A Molecular Video-derived Foundation Model for Scientific Drug Discovery (Nature Communications 2024)

EDBench. EDBench: Large-Scale Electron Density Data for Molecular Modeling (NeurIPS 2025)

IEM. An Image-enhanced Molecular Graph Representation Learning Framework (IJCAI 2024)

CGIP. A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)

ImagePLB. An Image-based Protein-Ligand Binding Representation Learning Framework via Multi-Level Flexible Dynamics Trajectory Pre-training (Bioinformatics 2025)

BenchMol. Under review

EDG. Electron Density-enhanced Molecular Geometry Learning (IJCAI 2025)

AI2BMD. AI-powered ab initio biomolecular dynamics simulation

gan-loss-pytorch. Generative Adversarial Network Loss Summary

diffusers. 🤗 Diffusers: State-of-the-art diffusion models for image and audio generation in PyTorch