This is an official implementation for "Video Swin Transformers".

Implementation of Alphafold 3 from Google Deepmind in Pytorch

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

⚡VoltaML is a lightweight library to convert and run your ML/DL deep learning models in high performance inference runtimes like TensorRT, TorchScript, ONNX and TVM.

Implementation A Style-Based Generator Architecture for Generative Adversarial Networks in PyTorch

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

Open source implementation of AlphaFold3

Making Protein Design accessible to all via Google Colab!

Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch

Working with molecular structures in pandas DataFrames

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

Official PyTorch implementation for paper: Diffusion-GAN: Training GANs with Diffusion

Generation of protein sequences and evolutionary alignments via discrete diffusion models

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake, Bolz, et al. (2025), https://doi.org/10.1093/nar/gkaf361

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

AI-powered ab initio biomolecular dynamics simulation

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

[ICCV 2025] Diffuman4D: 4D Consistent Human View Synthesis from Sparse-View Videos with Spatio-Temporal Diffusion Models

Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch

Collected scripts for Pymol

Benchmarks for generative chemistry

Python implementation of the conformal prediction framework.

The Pytorch implementation for "Semantic Graph Convolutional Networks for 3D Human Pose Regression" (CVPR 2019).

A Euclidean diffusion model for structure-based drug design.

Open Drug Discovery Toolkit

Interaction Fingerprints for protein-ligand complexes and more

Training neural network potentials