GitHub topics: structure-prediction
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
Language: Jupyter Notebook - Size: 431 MB - Last synced at: about 10 hours ago - Pushed at: about 13 hours ago - Stars: 86 - Forks: 16
BioinfoMachineLearning/PoseBench
Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)
Language: Jupyter Notebook - Size: 392 MB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 176 - Forks: 6
Guifeutrole/protein
🥗 Track your protein intake easily in Switzerland with a budget-friendly app that helps you meet your daily goals from popular stores.
Language: JavaScript - Size: 1.34 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 0 - Forks: 0
sokrypton/ColabFold
Making Protein folding accessible to all!
Language: Jupyter Notebook - Size: 138 MB - Last synced at: 10 days ago - Pushed at: 10 days ago - Stars: 2,497 - Forks: 657
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.
Language: C++ - Size: 7.82 MB - Last synced at: 24 days ago - Pushed at: 24 days ago - Stars: 17 - Forks: 1
debbiemarkslab/EVcouplings
Evolutionary couplings from protein and RNA sequence alignments
Language: Jupyter Notebook - Size: 18.5 MB - Last synced at: 28 days ago - Pushed at: 28 days ago - Stars: 284 - Forks: 79
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.
Language: Python - Size: 11.1 MB - Last synced at: about 1 month ago - Pushed at: 4 months ago - Stars: 6 - Forks: 0
zjunlp/Generative_KG_Construction_Papers
[EMNLP 2022] Generative Knowledge Graph Construction: A Review
Size: 15.8 MB - Last synced at: 4 days ago - Pushed at: over 2 years ago - Stars: 112 - Forks: 7
AstraBert/proteinviz
Your open-source alternative to AlphaFold3🚀
Language: Python - Size: 10.1 MB - Last synced at: 24 days ago - Pushed at: over 1 year ago - Stars: 10 - Forks: 0
mitkeng/peas
A user-friendly application for precise conformation sampling
Language: Jupyter Notebook - Size: 1.79 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 2 - Forks: 0
MurrellGroup/PyBoltz.jl
Julia bindings for Boltz
Language: Julia - Size: 330 KB - Last synced at: 16 days ago - Pushed at: 2 months ago - Stars: 1 - Forks: 0
BioinfoMachineLearning/FlowDock
A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)
Language: Python - Size: 32.6 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 104 - Forks: 17
zaixizhang/RNAGenesis
RNAGenesis: A Generalist Foundation Model for Functional RNA Therapeutics
Language: Jupyter Notebook - Size: 46.7 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 19 - Forks: 2
mitkeng/SEER
Gas phase molecular charge state predictor
Language: Jupyter Notebook - Size: 1.04 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 2 - Forks: 0
Lattice-Automation/seqfold
nucleic acid folding
Language: Python - Size: 139 KB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 95 - Forks: 16
Vida181105/AlphaFold-Structure-Prediction
Predict 3D protein structures using AlphaFold2 via ColabFold, with visualizations of per-residue confidence and alignment error
Language: Jupyter Notebook - Size: 915 KB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 0
Ramprasad-Group/PSP
PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
Language: Jupyter Notebook - Size: 5.34 MB - Last synced at: 4 months ago - Pushed at: over 1 year ago - Stars: 39 - Forks: 15
zhubonan/airsspy
Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)
Language: Python - Size: 382 KB - Last synced at: about 2 months ago - Pushed at: over 1 year ago - Stars: 19 - Forks: 2
febos/SQUARNA
RNA secondary structure prediction tool
Language: Jupyter Notebook - Size: 162 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 18 - Forks: 2
StanIsAdmin/PyProt
A set of libraries for aligning, profiling, and predicting the structure of proteins
Language: Python - Size: 5.03 MB - Last synced at: about 2 months ago - Pushed at: about 8 years ago - Stars: 9 - Forks: 2
ntnn19/AlphaFold3_workflow
A Snakemake workflow for high-throughput AlphaFold 3 structure predictions
Language: Python - Size: 321 KB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 3 - Forks: 0
febos/SQUARNA-data
SQUARNA benchmark data
Language: Jupyter Notebook - Size: 105 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0
walterlab-HMS/SPOC
Code repository for the SPOC tool for scoring binary AF-M predicitons.
Language: Perl - Size: 237 MB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 7 - Forks: 2
LucaAngioloni/ProteinSecondaryStructure-CNN
Protein Secondary Structure predictor using Convolutional Neural Networks
Language: Python - Size: 44 MB - Last synced at: 7 months ago - Pushed at: over 2 years ago - Stars: 113 - Forks: 31
Urinx/alphafold_pytorch
An implementation of the DeepMind's AlphaFold based on PyTorch for research
Language: Python - Size: 19.2 MB - Last synced at: 6 months ago - Pushed at: almost 5 years ago - Stars: 395 - Forks: 90
seqeralabs/nf-chai
POC Nextflow pipeline to run the Chai-1, SOTA model for biomolecular structure prediction
Language: Nextflow - Size: 12.6 MB - Last synced at: 27 days ago - Pushed at: 10 months ago - Stars: 11 - Forks: 5
Genentech/equifold
Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation
Language: Python - Size: 13.8 MB - Last synced at: 7 months ago - Pushed at: almost 3 years ago - Stars: 120 - Forks: 17
volvox292/mass2smiles
deep learning based prediction of structures and functional groups from MS/MS spectra
Language: Jupyter Notebook - Size: 2.4 MB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 10 - Forks: 2
AstraBert/proteins-w-esm
Predict the whole sequence and 3D structure of masked protein sequences with ESM by @evolutionaryscale
Language: Python - Size: 23.4 KB - Last synced at: 24 days ago - Pushed at: over 1 year ago - Stars: 4 - Forks: 0
mdkma/DICE
[ACL'23 main] DICE: Data-Efficient Clinical Event Extraction with Generative Models
Size: 1.52 MB - Last synced at: about 1 year ago - Pushed at: over 2 years ago - Stars: 5 - Forks: 0
zjunlp/SPEECH
[ACL 2023] SPEECH: Structured Prediction with Energy-Based Event-Centric Hyperspheres
Language: Python - Size: 44.6 MB - Last synced at: 5 months ago - Pushed at: almost 2 years ago - Stars: 13 - Forks: 1
ybyygu/spdkit 📦
spdkit: Structure Predication Development Kit
Language: Rust - Size: 43.9 KB - Last synced at: over 1 year ago - Pushed at: over 7 years ago - Stars: 1 - Forks: 0
rouyang2017/RBH_for_Cation_Ordering
Recommendation-based Basin-Hopping for cation ordering optimization
Language: Fortran - Size: 984 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 1 - Forks: 0
dillondaudert/pssp_lstm
Recurrent neural network implementations for protein secondary structure prediction and language models
Language: Python - Size: 526 KB - Last synced at: 5 months ago - Pushed at: about 7 years ago - Stars: 7 - Forks: 4
evalkov/alphafold
A pipeline for AlphaFold2-Multimer on a SLURM compute cluster with visualization in ChimeraX.
Language: Shell - Size: 64.5 KB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 2 - Forks: 0
XuezheMax/NeuroNLP2
Deep neural models for core NLP tasks (Pytorch version)
Language: Python - Size: 770 KB - Last synced at: about 2 years ago - Pushed at: almost 4 years ago - Stars: 441 - Forks: 91
xkianteb/leaqi
Active Imitation Learing with Noisy Guidance
Language: Python - Size: 2.67 MB - Last synced at: about 2 years ago - Pushed at: over 5 years ago - Stars: 10 - Forks: 4
OneAngstrom/DeepTrajectory
A deep learning method that identifies improved protein conformational states in trajectory data from refinement simulations
Language: Python - Size: 258 KB - Last synced at: about 2 years ago - Pushed at: over 7 years ago - Stars: 8 - Forks: 2
biovino1/SearchEmb
Searching proteins against a database of embeddings
Language: Python - Size: 309 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0
BackofenLab/RNA-Playground
Visualize the inner workings of RNA bioinformatics algorithms for structure prediction, interaction prediction and sequence alignment.
Language: JavaScript - Size: 18.4 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 34 - Forks: 15
Singularitty/Genetic-Algorithm-Structure-Prediction
An implementation of a genetic algorithm in Python for predicting equilibrium crystal structures for a given potential. The potential implemented here is the Daoud-Cotton model, but this can be easily changed.
Language: Python - Size: 30.3 KB - Last synced at: over 2 years ago - Pushed at: almost 5 years ago - Stars: 2 - Forks: 0
spdkit/spdkit
spdkit: Structure Predication Development Kit
Language: Rust - Size: 128 KB - Last synced at: about 1 month ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0
clacri/CASP14_MR_evaluation
Data and code for the manuscript "Assessing the utility of CASP14 models for Molecular Replacement: https://doi.org/10.22541/au.162412334.48194370/v1
Language: Jupyter Notebook - Size: 37.5 MB - Last synced at: over 2 years ago - Pushed at: about 4 years ago - Stars: 2 - Forks: 0
zhubonan/res2desc
Computing descriptors for AIRSS style SHELX files.
Language: Python - Size: 51.8 KB - Last synced at: 4 months ago - Pushed at: over 5 years ago - Stars: 3 - Forks: 0