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

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design

Colab Notebooks covering deep learning tools for biomolecular structure prediction and design

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)

Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information

Protein-Protein Docking using Genetic Algorithm

Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking

PD-1 Targeted Antibody Discovery Using AI Protein Diffusion

VSpipe - A pipeline to carry out virtual screenings

Generate restraints to be used in HADDOCK

OPUS-Fold3: a gradient-based protein all-atom folding and docking framework on TensorFlow

Predicting Antibody and ACE2 Affinity for SARS-CoV-2 BA.2.86 with In Silico Protein Modeling and Docking

ContextShapes Algorithm for rigid-body protein shape matching and docking

🥗 Track your protein intake easily in Switzerland with a budget-friendly app that helps you meet your daily goals from popular stores.

Scrapes HDOCK job result pages, extracts the “Summary of the Top 10 Models” tables for any number of complexes, and builds a single-sheet Excel workbook with embedded download links to each job’s full results archive.

🔬 pyProCT (Python 3 fork) brings the original pyProCT clustering toolkit back to life under modern Python. ⚙️ This version fixes Python 2 legacy issues, updates Cython extensions, adapts to recent NumPy/SciPy APIs, and ensures all clustering algorithms and postprocessing actions work end-to-end.

Automated protein-protein docking pipeline for ClusPro. Batch submission, queue monitoring, results parsing, and GPCR topology-aware pose validation. Enables high-throughput virtual screening of peptide-receptor interactions for drug discovery workflows.

A set of molecular docking tools and analysis