19 results found Sort:

kexinhuang12345
DeepPurpose kexinhuang12345
278
993
bsd-3-clause
31
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
ddi ppi qsar covid19 toolkit side-effects deep-learning bioinformatics drug-discovery dti-prediction drug-repurposing repurposing-drugs virtual-screening drug-drug-interaction drug-target-interaction drug-property-prediction drug-target-interactions protein-function-prediction protein-protein-interaction
Created 2020-03-19
529 commits to master branch, last one 6 months ago
lightdock
lightdock lightdock
42
312
gpl-3.0
12
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
dna docking protein peptides chemistry proteomics bioinformatics protein-design protein-docking molecular-biology protein-structure structural-biology swarm-intelligence bioinformatics-tool molecular-structures artificial-intelligence protein-dna-interactions structural-bioinformatics glowworm-swarm-optimization protein-protein-interaction
Created 2019-09-27
488 commits to master branch, last one 11 months ago
LirongWu
MAPE-PPI LirongWu
47
262
mit
2
Code for ICLR 2024 (Spotlight) paper "MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding"
codebook vocabulary ppi-networks masked-modeling microenvironment protein-embedding protein-protein-interaction protein-representation-learning
Created 2024-01-24
9 commits to main branch, last one 6 months ago
octavian-ganea
equidock_public octavian-ganea
58
234
mit
8
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
docking geometry proteins deeplearning equivariance drugdiscovery drug-discovery graphneuralnetwork equivariant-network equivariant-representations protein-protein-interaction
Created 2022-02-04
20 commits to main branch, last one 2 years ago
FreshAirTonight
af2complex FreshAirTonight
19
154
unknown
7
Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.
alphafold2 deep-learning bioinformatics protein-complexes protein-protein-docking protein-protein-interaction protein-structure-prediction
Created 2021-11-07
119 commits to main branch, last one 3 months ago
DeepRank
deeprank DeepRank
26
147
apache-2.0
14
This repository has been integrated in https://github.com/DeepRank/deeprank2
3d-cnn docking pytorch protein-protein-interaction
This repository has been archived (exclude archived)
Created 2017-09-12
1,129 commits to master branch, last one about a year ago
zjunlp
OntoProtein zjunlp
22
145
mit
7
[ICLR 2022] OntoProtein: Protein Pretraining With Gene Ontology Embedding
nlp bert iclr protein pytorch iclr2022 ontoprotein pretraining gene-ontology knowledge-graph pretrained-models protein-pretraining protein-function-prediction protein-protein-interaction protein-structure-prediction
Created 2021-12-18
51 commits to main branch, last one about a year ago
Thinklab-SJTU
awesome-molecular-docking Thinklab-SJTU
6
96
mit
3
We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
drugai awesome binding paper-list drug-design awesome-list deep-learning bioinformatics drug-discovery generative-model machine-learning molecular-docking optimal-transport molecular-dynamics protein-ligand-docking ai-aided-drug-discovery geometric-deep-learning drug-protein-interactions equivariant-representations protein-protein-interaction
Created 2022-12-10
34 commits to main branch, last one about a year ago
anton-bushuiev
PPIRef anton-bushuiev
8
87
mit
4
Dataset and package for working with protein-protein interactions in 3D
datasets proteins machine-learning protein-protein-interaction
Created 2023-10-16
110 commits to main branch, last one 2 days ago
westlake-repl
SaprotHub westlake-repl
7
82
mit
4
SaprotHub: Making Protein Modeling Accessible to All Biologists
nlp saprot saprothub protein-design protein-fitness universal-model foundation-models protein-structure protein-language-model protein-function-prediction protein-protein-interaction
Created 2024-05-02
503 commits to main branch, last one 3 days ago
sbl-sdsc
mmtf-pyspark sbl-sdsc
27
68
apache-2.0
8
Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.
binder jupyter pyspark big-data apache-spark jupyter-notebook machine-learning protein-data-bank protein-sequences protein-structure scientific-computing protein-ligand-interactions protein-protein-interaction
Created 2017-05-11
1,752 commits to master branch, last one about a year ago
sbl-sdsc
mmtf-workshop-2018 sbl-sdsc
34
58
apache-2.0
5
Structural Bioinformatics Training Workshop & Hackathon 2018
binder jupyter pyspark big-data hackathon apache-spark 3d-visualization jupyter-notebook machine-learning protein-data-bank workshop-materials protein-ligand-interactions protein-protein-interaction
Created 2018-04-23
137 commits to master branch, last one 2 years ago
akiyamalab
MEGADOCK akiyamalab
32
51
other
4
An ultra-high-performance protein-protein docking for heterogeneous supercomputers
gpu cuda fftw bioinformatics protein-protein-interaction
Created 2016-01-11
95 commits to master branch, last one about a year ago
sigven
oncoEnrichR sigven
10
49
mit
6
Explore the cancer relevance of your gene list
cancer genesets proteins tcga-data co-expression crispr-target prioritization cancer-survival report-generator protein-complexes cancer-hallmark-evidence disease-gene-association high-throughput-screening tissue-enrichment-analysis pathway-enrichment-analysis protein-protein-interaction functional-enrichment-analysis
Created 2019-11-21
320 commits to main branch, last one 3 months ago
DeepGraphLearning
SiamDiff DeepGraphLearning
5
40
unknown
4
Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)
protein pre-training protein-protein-interaction protein-representation-learning
Created 2023-07-06
4 commits to main branch, last one about a year ago
LirongWu
Prompt-DDG LirongWu
5
32
mit
3
Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical Prompt Learning"
prompt-leaning antibody-optimization protein-protein-interaction mutational-effect-prediction
Created 2024-05-06
9 commits to main branch, last one 2 months ago
EureKaZhu
DiffAffinity EureKaZhu
3
31
unknown
2
Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)
ai4science diffusion-models protein-protein-interaction
Created 2023-08-07
20 commits to main branch, last one about a year ago
MIDIfactory
AlphaFastPPi MIDIfactory
4
31
gpl-3.0
1
Fast AlphaFold-Multimer based pipeline for Protein-Protein Interaction (PPI) screening
bioinformatics protein-structure protein-protein-interaction
Created 2024-05-28
24 commits to main branch, last one 3 months ago
DeepRank
DeepRank-GNN-esm DeepRank
10
27
apache-2.0
6
Graph Network for protein-protein interface including language model features
scoring deep-learning graph-networks language-model utrecht-university interface-classification protein-protein-interaction
Created 2023-06-15
109 commits to main branch, last one 9 months ago