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GitHub topics: structure-prediction

taka78/ultidock

An Autodock Vina automation project with basic data analysis tools.

Language: Python - Size: 450 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 0 - Forks: 0

sokrypton/ColabFold

Making Protein folding accessible to all!

Language: Jupyter Notebook - Size: 138 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 2,199 - Forks: 537

zjunlp/Generative_KG_Construction_Papers

[EMNLP 2022] Generative Knowledge Graph Construction: A Review

Size: 15.8 MB - Last synced at: 3 days ago - Pushed at: almost 2 years ago - Stars: 112 - Forks: 7

febos/SQUARNA-data

SQUARNA benchmark data

Language: Jupyter Notebook - Size: 105 MB - Last synced at: 7 days ago - Pushed at: 7 days ago - Stars: 0 - Forks: 0

febos/SQUARNA

RNA secondary structure prediction tool

Language: Jupyter Notebook - Size: 162 MB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 14 - Forks: 2

ntnn19/AlphaFold3_workflow

A Snakemake workflow for high-throughput AlphaFold 3 structure predictions

Language: Python - Size: 260 KB - Last synced at: 13 days ago - Pushed at: 13 days ago - Stars: 2 - Forks: 0

LucaAngioloni/ProteinSecondaryStructure-CNN

Protein Secondary Structure predictor using Convolutional Neural Networks

Language: Python - Size: 44 MB - Last synced at: 7 days ago - Pushed at: almost 2 years ago - Stars: 113 - Forks: 31

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: 12 days ago - Pushed at: 18 days ago - Stars: 61 - Forks: 12

walterlab-HMS/SPOC

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

Language: Perl - Size: 237 MB - Last synced at: 28 days ago - Pushed at: 28 days ago - Stars: 4 - Forks: 0

Urinx/alphafold_pytorch

An implementation of the DeepMind's AlphaFold based on PyTorch for research

Language: Python - Size: 19.2 MB - Last synced at: 15 days ago - Pushed at: about 4 years ago - Stars: 395 - Forks: 90

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: 10 months ago - Stars: 34 - Forks: 13

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: 6 days ago - Pushed at: 3 months ago - Stars: 11 - Forks: 3

zhubonan/airsspy

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

Language: Python - Size: 382 KB - Last synced at: 9 days ago - Pushed at: 11 months ago - Stars: 17 - Forks: 2

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: 6.64 MB - Last synced at: 11 days ago - Pushed at: 2 months ago - Stars: 17 - Forks: 1

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: 8 days 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: 3 months ago - Pushed at: 3 months ago - Stars: 10 - Forks: 2

mitkeng/SEER

Gas phase molecular charge state predictor

Size: 170 KB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0

AstraBert/proteinviz

Your open-source alternative to AlphaFold3🚀

Language: Python - Size: 10.1 MB - Last synced at: 2 days ago - Pushed at: 10 months 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: 2 days ago - Pushed at: 10 months ago - Stars: 4 - Forks: 0

Lattice-Automation/seqfold

nucleic acid folding

Language: Python - Size: 136 KB - Last synced at: 9 months ago - Pushed at: 9 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: 8 months ago - Pushed at: almost 2 years ago - Stars: 5 - Forks: 0

debbiemarkslab/EVcouplings

Evolutionary couplings from protein and RNA sequence alignments

Language: Jupyter Notebook - Size: 18.3 MB - Last synced at: 12 months ago - Pushed at: about 1 year ago - Stars: 212 - Forks: 70

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 1 month ago - Pushed at: over 7 years ago - Stars: 9 - Forks: 2

ybyygu/spdkit 📦

spdkit: Structure Predication Development Kit

Language: Rust - Size: 43.9 KB - Last synced at: about 1 year ago - Pushed at: almost 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: about 1 year ago - Pushed at: about 1 year ago - Stars: 1 - Forks: 0

zjunlp/SPEECH

Code for the ACL2023 paper "SPEECH: Structured Prediction with Energy-Based Event-Centric Hyperspheres"

Language: Python - Size: 44.6 MB - Last synced at: about 1 year ago - Pushed at: over 1 year ago - Stars: 12 - Forks: 1

dillondaudert/pssp_lstm

Recurrent neural network implementations for protein secondary structure prediction and language models

Language: Python - Size: 526 KB - Last synced at: 12 days ago - Pushed at: over 6 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: about 3 years ago - Stars: 441 - Forks: 91

xkianteb/leaqi

Active Imitation Learing with Noisy Guidance

Language: Python - Size: 2.67 MB - Last synced at: over 1 year ago - Pushed at: almost 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: over 1 year ago - Pushed at: about 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: about 1 year ago - Pushed at: about 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: about 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: 24 days ago - Pushed at: almost 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: about 2 years ago - Pushed at: over 3 years ago - Stars: 2 - Forks: 0

zhubonan/res2desc

Computing descriptors for AIRSS style SHELX files.

Language: Python - Size: 51.8 KB - Last synced at: 23 days ago - Pushed at: almost 5 years ago - Stars: 3 - Forks: 0

Related Keywords
structure-prediction 37 bioinformatics 8 machine-learning 6 deep-learning 6 protein-structure 5 alignment 4 rna 4 natural-language-processing 4 protein 4 structural-biology 4 pytorch 3 structure 3 event-extraction 3 biology 3 information-extraction 3 prediction 3 rna-structure-prediction 3 computational-chemistry 3 protein-structure-prediction 2 bioinformatics-tool 2 biological-data-analysis 2 prediction-algorithm 2 pseudoknot 2 deep-neural-networks 2 rna-secondary-structure 2 rna-secondary-structure-prediction 2 rna-structure 2 secondary-structure 2 tensorflow 2 secondary-structure-prediction 2 single-sequence 2 smiles-strings 2 2d 2 airss 2 materials-science 2 ai 2 paper 2 nlp 2 casp 2 named-entity-recognition 2 huggingface-spaces 2 protein-folding 2 masked-language-models 1 open-source 1 profiling 1 score-matrix 1 substitutions 1 chemistry 1 molecule 1 acl2023 1 energy-model 1 ie 1 physics 1 autodock 1 amino-acids 1 protein-sequences 1 protein-complexes 1 3d-structure 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 imitation-learning 1 learning-to-search 1 reinforcement-learning 1 protein-refinement 1 temporal-learning 1 homology-search 1 protein-language-model 1 algorithm 1 nussinov 1 teaching 1 crystal-structure 1 genetic-algorithm 1 physics-2d 1 statistical-physics 1 likelihood 1 model-refinement 1 molecular-replacement 1 speech 1 amino-acid-sequence 1 jupyter-notebook 1 language-models 1 lstm 1 pretrained-models 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