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

Related Keywords
structure-prediction 27 deep-learning 6 machine-learning 5 protein 4 natural-language-processing 4 bioinformatics 3 pytorch 3 information-extraction 3 event-extraction 3 protein-structure 2 casp 2 tensorflow 2 protein-structure-prediction 2 smiles-strings 2 named-entity-recognition 2 nlp 2 paper 2 rna 2 deep-neural-networks 2 alignment 2 protein-folding 2 materials-science 2 airss 2 protein-protein-interaction 1 dna 1 protein-protein-complexes 1 dna-folding 1 dna-structure-prediction 1 folding 1 molecular-replacement 1 mass-spectrometry 1 unsupervised-learning 1 structure 1 secondary 1 rnn 1 recurrent-neural-networks 1 python3 1 pretrained-models 1 prediction 1 lstm 1 language-models 1 jupyter-notebook 1 amino-acid-sequence 1 speech 1 relation-extraction 1 model-refinement 1 likelihood 1 computational-chemistry 1 statistical-physics 1 physics-2d 1 genetic-algorithm 1 crystal-structure 1 teaching 1 nussinov 1 algorithm 1 structural-biology 1 proteins 1 protein-language-model 1 homology-search 1 temporal-learning 1 protein-refinement 1 reinforcement-learning 1 learning-to-search 1 imitation-learning 1 syntactic-parsing 1 sequence-labeling 1 dependency-parsing 1 core-nlp 1 generative-model 1 clinical-research 1 clinical-information-extraction 1 clinical-data 1 rna-structure-prediction 1 rna-folding 1 paper-list 1 natural-language-generation 1 knowledge-graph 1 information-extration 1 genkgc 1 generative 1 generation 1 chatgpt 1 awesome-list 1 protein-prediction 1 pdb 1 keras 1 cullpdb 1 cnn 1 chain 1 protein-complexes 1 3d-structure 1 molecule 1 chemistry 1 substitutions 1 score-matrix 1 profiling 1 amino-acids 1 open-source 1 huggingface-spaces 1 biology 1