structure-prediction 开源项目推荐（85 个）

sokrypton /ColabFold

Making Protein folding accessible to all!

XuezheMax /NeuroNLP2

Deep neural models for core NLP tasks (Pytorch version)

Urinx /alphafold_pytorch

基于PyTorch的DeepMind阿尔法折层实现，用于研究

debbiemarkslab /EVcouplings

Evolutionary couplings from protein and RNA sequence alignments

BioinfoMachineLearning /PoseBench

Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)

BioinfoMachineLearning /FlowDock

A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)

Genentech /equifold

Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation

LucaAngioloni /ProteinSecondaryStructure-CNN

Protein Secondary Structure predictor using Convolutional Neural Networks

zjunlp /Generative_KG_Construction_Papers

[EMNLP 2022]生成式知识图谱构建：综述

Lattice-Automation /seqfold

nucleic acid folding

carlocamilloni /Structural-Bioinformatics

This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the University of Milano, originally inspired by https://github.com/pb3lab/ibm3202

Ramprasad-Group /PSP

PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.

BackofenLab /RNA-Playground

Visualize the inner workings of RNA bioinformatics algorithms for structure prediction, interaction prediction and sequence alignment.

Sanofi-Public /SNAC-DB

Repository containing pipelines developed for the SNAC-DB (Structural NANOBODY® VHH and Antibody Complex Database). SNAC-DB is ML-ready curation of the Protein Data Bank (PDB) for NANOBODY® VHH and antibody complex structures.

zaixizhang /RNAGenesis

RNAGenesis: A Generalist Foundation Model for Functional RNA Therapeutics

zhubonan /airsspy

Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)

febos /SQUARNA

RNA secondary structure prediction tool

okkevaneck /prospr

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.

cddlab /rgi_toolkit

⛓️ RGI-Toolkit: Restraint-Guided-Inference toolkit, Differentiable Restraints for Controllable Biomolecular Structure Prediction

walterlab-HMS /SPOC

Code repository for the SPOC tool for scoring binary AF-M predicitons.