An open API service providing repository metadata for many open source software ecosystems.

GitHub topics: structure-prediction

sokrypton/ColabFold

Making Protein folding accessible to all!

Language: Jupyter Notebook - Size: 138 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 2,330 - Forks: 606

BioinfoMachineLearning/PoseBench

Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)

Language: Jupyter Notebook - Size: 359 MB - Last synced at: 3 days ago - Pushed at: 4 months ago - Stars: 159 - Forks: 6

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: 8.47 MB - Last synced at: 6 days ago - Pushed at: 11 days ago - Stars: 0 - Forks: 0

mitkeng/SEER

Gas phase molecular charge state predictor

Language: Jupyter Notebook - Size: 1.03 MB - Last synced at: 25 days ago - Pushed at: 25 days ago - Stars: 2 - Forks: 0

debbiemarkslab/EVcouplings

Evolutionary couplings from protein and RNA sequence alignments

Language: Jupyter Notebook - Size: 18.4 MB - Last synced at: 16 days ago - Pushed at: 5 months ago - Stars: 272 - Forks: 79

zaixizhang/RNAGenesis

RNAGenesis: A Generalist Foundation Model for Functional RNA Therapeutics

Language: Jupyter Notebook - Size: 45.8 MB - Last synced at: 25 days ago - Pushed at: 25 days ago - Stars: 13 - Forks: 1

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: 15 days ago - Pushed at: about 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: 5 days ago - Pushed at: about 1 year ago - Stars: 19 - Forks: 2

febos/SQUARNA

RNA secondary structure prediction tool

Language: Jupyter Notebook - Size: 162 MB - Last synced at: 5 days ago - Pushed at: 2 months ago - Stars: 18 - Forks: 2

MurrellGroup/PyBoltz.jl

Julia bindings for Boltz

Language: Julia - Size: 303 KB - Last synced at: 28 days ago - Pushed at: about 1 month ago - Stars: 1 - Forks: 0

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: 324 MB - Last synced at: about 1 month ago - Pushed at: 4 months ago - Stars: 70 - Forks: 13

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: 6.66 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 17 - Forks: 1

StanIsAdmin/PyProt

A set of libraries for aligning, profiling, and predicting the structure of proteins

Language: Python - Size: 5.03 MB - Last synced at: 15 days ago - Pushed at: over 7 years ago - Stars: 9 - Forks: 2

ntnn19/AlphaFold3_workflow

A Snakemake workflow for high-throughput AlphaFold 3 structure predictions

Language: Python - Size: 282 KB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 3 - Forks: 0

febos/SQUARNA-data

SQUARNA benchmark data

Language: Jupyter Notebook - Size: 105 MB - Last synced at: 2 months ago - Pushed at: 2 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: 3 months ago - Pushed at: 3 months ago - Stars: 7 - Forks: 2

zjunlp/Generative_KG_Construction_Papers

[EMNLP 2022] Generative Knowledge Graph Construction: A Review

Size: 15.8 MB - Last synced at: about 1 month ago - Pushed at: about 2 years ago - Stars: 112 - Forks: 7

LucaAngioloni/ProteinSecondaryStructure-CNN

Protein Secondary Structure predictor using Convolutional Neural Networks

Language: Python - Size: 44 MB - Last synced at: 3 months ago - Pushed at: about 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: 2 months ago - Pushed at: over 4 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: 9 days ago - Pushed at: 6 months ago - Stars: 11 - Forks: 4

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: 4 months ago - Pushed at: over 2 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: 6 months ago - Pushed at: 6 months ago - Stars: 10 - Forks: 2

AstraBert/proteinviz

Your open-source alternative to AlphaFold3🚀

Language: Python - Size: 10.1 MB - Last synced at: 9 days ago - Pushed at: about 1 year ago - Stars: 10 - Forks: 0

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: 9 days ago - Pushed at: about 1 year ago - Stars: 4 - Forks: 0

Lattice-Automation/seqfold

nucleic acid folding

Language: Python - Size: 136 KB - Last synced at: 12 months ago - Pushed at: 12 months ago - Stars: 79 - Forks: 12

mdkma/DICE

[ACL'23 main] DICE: Data-Efficient Clinical Event Extraction with Generative Models

Size: 1.52 MB - Last synced at: 11 months ago - Pushed at: about 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: about 1 month ago - Pushed at: over 1 year 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: about 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: about 1 month ago - Pushed at: almost 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: over 1 year ago - Pushed at: over 1 year ago - Stars: 2 - Forks: 0

XuezheMax/NeuroNLP2

Deep neural models for core NLP tasks (Pytorch version)

Language: Python - Size: 770 KB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 441 - Forks: 91

xkianteb/leaqi

Active Imitation Learing with Noisy Guidance

Language: Python - Size: 2.67 MB - Last synced at: almost 2 years ago - Pushed at: about 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: almost 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: over 1 year ago - Pushed at: over 1 year 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: over 4 years ago - Stars: 2 - Forks: 0

spdkit/spdkit

spdkit: Structure Predication Development Kit

Language: Rust - Size: 128 KB - Last synced at: 25 days ago - Pushed at: about 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: almost 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: about 9 hours ago - Pushed at: about 5 years ago - Stars: 3 - Forks: 0

Related Keywords
structure-prediction 40 bioinformatics 8 deep-learning 7 machine-learning 7 protein-structure 6 rna 5 natural-language-processing 4 protein 4 structural-biology 4 alignment 4 rna-structure-prediction 3 prediction 3 biology 3 structure 3 protein-folding 3 pytorch 3 event-extraction 3 information-extraction 3 ai 3 computational-chemistry 3 bioinformatics-tool 2 2d 2 biological-data-analysis 2 materials-science 2 airss 2 prediction-algorithm 2 casp 2 pseudoknot 2 rna-secondary-structure 2 rna-secondary-structure-prediction 2 rna-structure 2 secondary-structure 2 secondary-structure-prediction 2 single-sequence 2 deep-neural-networks 2 protein-structure-prediction 2 huggingface-spaces 2 named-entity-recognition 2 nlp 2 paper 2 tensorflow 2 smiles-strings 2 genetic-algorithm 1 open-source 1 masked-language-models 1 crystal-structure 1 protein-sequences 1 dna 1 dna-folding 1 dna-structure-prediction 1 folding 1 rna-folding 1 clinical-data 1 clinical-information-extraction 1 clinical-research 1 generative-model 1 teaching 1 pretrained-models 1 physics-2d 1 mass-spectrometry 1 proteins 1 statistical-physics 1 pipeline 1 likelihood 1 model-refinement 1 molecular-replacement 1 nextflow 1 pytorch-implementation 1 contact-prediction 1 keras 1 casp13 1 alphafold 1 protein-prediction 1 pdb 1 python3 1 recurrent-neural-networks 1 rnn 1 secondary 1 unsupervised-learning 1 protein-protein-complexes 1 protein-protein-interaction 1 core-nlp 1 dependency-parsing 1 sequence-labeling 1 syntactic-parsing 1 imitation-learning 1 learning-to-search 1 reinforcement-learning 1 protein-refinement 1 temporal-learning 1 homology-search 1 lstm 1 language-models 1 protein-language-model 1 jupyter-notebook 1 algorithm 1 amino-acid-sequence 1 molecule 1 chemistry 1 speech 1