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
