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

Optimizing AlphaFold Training and Inference on GPU Clusters

IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.

Protein 3D structure prediction pipeline

🧬 ManyFold: An efficient and flexible library for training and validating protein folding models

FrameDiPT: an SE(3) diffusion model for protein structure inpainting

Example to fit parameters and run CG simulations using TorchMD and Schnet

Step-by-step guide to install and configure AlphaFold 3 using a Conda Python 3.11 environment. No system-wide installations required. ✅ Miniconda setup & dependencies ✅ Repository cloning & model setup ✅ Database configuration & execution script 🔹 Requirements: Linux, NVIDIA GPU (Ampere+), CUDA, ~700GB disk space.

Deep learning for protein science

Singularity recipe for AlphaFold

An interactive visual simulator for distance-based protein folding

Infrastructure template and Jupyter notebooks for running RoseTTAFold on AWS Batch.

OPUS-Fold: An Open-Source Protein Folding Framework Based on Torsion-Angle Sampling

A curated list of FREE courses available online from top universities of the world on Computational Biology and Bioinformatics.

Prospr is a universal toolbox for protein structure prediction within the HP-model. The Python package is based on a C++ core, which gives Prospr its high performance. The C++ core is made available as a separate zip file to facilitate high-performance computing applications. The package comes with many prediction algorithms and datasets to use.

Python package for generating Markov state models

A curated list of awesome protein design research, software and resources.

The largest open-source dataset for Protein Single Sequence Secondary Structure prediction.

Selecting Features for Markov Modeling: A Case Study on HP35