Ecosyste.ms: Repos
An open API service providing repository metadata for many open source software ecosystems.
GitHub topics: structure-prediction
AstraBert/proteinviz
Your open-source alternative to AlphaFold3🚀
Language: Python - Size: 10.1 MB - Last synced: 2 days ago - Pushed: 2 days ago - Stars: 3 - Forks: 0
StanIsAdmin/PyProt
A set of libraries for aligning, profiling, and predicting the structure of proteins
Language: Python - Size: 5.03 MB - Last synced: about 11 hours ago - Pushed: over 6 years ago - Stars: 9 - Forks: 2
ybyygu/spdkit 📦
spdkit: Structure Predication Development Kit
Language: Rust - Size: 43.9 KB - Last synced: about 1 month ago - Pushed: almost 6 years ago - Stars: 1 - Forks: 0
debbiemarkslab/EVcouplings
Evolutionary couplings from protein and RNA sequence alignments
Language: Jupyter Notebook - Size: 18.3 MB - Last synced: about 1 month ago - Pushed: 4 months ago - Stars: 212 - Forks: 70
LucaAngioloni/ProteinSecondaryStructure-CNN
Protein Secondary Structure predictor using Convolutional Neural Networks
Language: Python - Size: 44 MB - Last synced: about 1 month ago - Pushed: 11 months ago - Stars: 108 - Forks: 32
zjunlp/Generative_KG_Construction_Papers
[EMNLP 2022] Generative Knowledge Graph Construction: A Review
Size: 15.8 MB - Last synced: 6 days ago - Pushed: 11 months ago - Stars: 96 - Forks: 8
zhubonan/airsspy
Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)
Language: Python - Size: 382 KB - Last synced: 8 days ago - Pushed: about 1 year ago - Stars: 14 - Forks: 0
rouyang2017/RBH_for_Cation_Ordering
Recommendation-based Basin-Hopping for cation ordering optimization
Language: Fortran - Size: 984 KB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 1 - 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: about 1 month ago - Pushed: over 3 years ago - Stars: 382 - Forks: 93
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: about 2 months ago - Pushed: 5 months ago - Stars: 24 - Forks: 7
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: 8.42 MB - Last synced: 25 days ago - Pushed: 5 months ago - Stars: 18 - Forks: 1
zjunlp/SPEECH
Code for the ACL2023 paper "SPEECH: Structured Prediction with Energy-Based Event-Centric Hyperspheres"
Language: Python - Size: 44.6 MB - Last synced: 4 months ago - Pushed: 5 months 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: about 1 month ago - Pushed: over 5 years ago - Stars: 7 - Forks: 5
volvox292/mass2smiles
deep learning based prediction of structures and functional groups from MS/MS spectra
Language: Jupyter Notebook - Size: 2.4 MB - Last synced: 4 months ago - Pushed: 4 months ago - Stars: 4 - Forks: 0
evalkov/alphafold
A pipeline for AlphaFold2-Multimer on a SLURM compute cluster with visualization in ChimeraX.
Language: Shell - Size: 64.5 KB - Last synced: 5 months ago - Pushed: 5 months ago - Stars: 2 - Forks: 0
Lattice-Automation/seqfold
nucleic acid folding
Language: Python - Size: 132 KB - Last synced: 6 months ago - Pushed: 11 months ago - Stars: 71 - Forks: 12
derekmma/DICE
[ACL'23 main] DICE: Data-Efficient Clinical Event Extraction with Generative Models
Size: 1.52 MB - Last synced: 4 months ago - Pushed: 11 months ago - Stars: 6 - Forks: 0
XuezheMax/NeuroNLP2
Deep neural models for core NLP tasks (Pytorch version)
Language: Python - Size: 770 KB - Last synced: 7 months ago - Pushed: over 2 years ago - Stars: 441 - Forks: 91
xkianteb/leaqi
Active Imitation Learing with Noisy Guidance
Language: Python - Size: 2.67 MB - Last synced: 7 months ago - Pushed: about 4 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: 7 months ago - Pushed: about 6 years ago - Stars: 8 - Forks: 2
biovino1/SearchEmb
Searching proteins against a database of embeddings
Language: Python - Size: 309 MB - Last synced: 5 months ago - Pushed: 5 months ago - Stars: 0 - Forks: 0
Genentech/equifold
Official code repository for EquiFold
Language: Python - Size: 13.8 MB - Last synced: 9 months ago - Pushed: over 1 year ago - Stars: 95 - Forks: 16
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: 3 months ago - Pushed: 3 months 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: about 1 year ago - Pushed: over 3 years ago - Stars: 2 - Forks: 0
spdkit/spdkit
spdkit: Structure Predication Development Kit
Language: Rust - Size: 128 KB - Last synced: 8 days ago - Pushed: about 1 year 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: about 1 year ago - Pushed: almost 3 years ago - Stars: 2 - Forks: 0
zhubonan/res2desc
Computing descriptors for AIRSS style SHELX files.
Language: Python - Size: 51.8 KB - Last synced: 7 months ago - Pushed: almost 4 years ago - Stars: 3 - Forks: 0