9 results found Sort:

kexinhuang12345
DeepPurpose kexinhuang12345
273
982
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 5 months ago
gnn4dr
DRKG gnn4dr
155
593
apache-2.0
26
A knowledge graph and a set of tools for drug repurposing
dgl dgl-ke knowledge-graph drug-repurposing graph-neural-networks knowledge-graph-embeddings
Created 2020-04-09
80 commits to master branch, last one 2 years ago
hetio
hetionet hetio
69
266
unknown
15
Hetionet: an integrative network of disease
neo4j hetnet network hetionet rephetio data-integration drug-repurposing
Created 2016-04-12
87 commits to main branch, last one about a year ago
AngelRuizMoreno
Jupyter_Dock AngelRuizMoreno
67
260
mit
12
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
rdkit ledock protein py3dmol autodock openbabel mdanalysis drug-design autodock-vina drug-discovery cheminformatics drug-repurposing jupyter-notebook molecular-docking protein-structure computational-biology
Created 2021-09-10
29 commits to main branch, last one 2 years ago
cansyl
DEEPScreen cansyl
44
109
unknown
15
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
deep-learning bioinformatics drug-discovery cheminformatics drug-repurposing machine-learning prediction-model command-line-tool 2d-images-of-compounds performance-evaluation drug-target-interactions hyper-parameter-optimization convolutional-neural-networks
Created 2019-01-09
62 commits to pytorch branch, last one 7 months ago
virtualramblas
awesome-deep-learning-4-life-sciences virtualramblas
13
100
apache-2.0
6
A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).
python biotech proteins molecules deeplearning drug-discovery cheminformatics pharmaceuticals drug-repurposing
Created 2022-06-24
124 commits to main branch, last one 19 days ago
AstraZeneca
awesome-drug-pair-scoring AstraZeneca
14
89
apache-2.0
12
Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)
ddi gcn gnn drug decagon chemistry drug-design drug-synergy polypharmacy deep-learning deep-chemistry knowledge-graph drug-combination drug-repurposing machine-learning synergy-prediction relational-learning graph-neural-network drug-drug-interaction drug-target-interactions
Created 2021-03-28
214 commits to master branch, last one 2 years ago
inoue0426
awesome-computational-biology inoue0426
3
73
cc0-1.0
4
Awesome list of computational biology.
awesome awesome-list drug-discovery drug-repurposing machine-learning computational-biology
Created 2022-02-15
70 commits to main branch, last one 16 days ago
DrugBud-Suite
CADD_Vault DrugBud-Suite
3
31
cc-by-4.0
3
This repository has no description...
sbvs drugs compchem chemistry drug-design drug-discovery cheminformatics chemoinformatics drug-repurposing virtual-screening molecular-dynamics molecular-modeling molecular-simulation computational-biology computational-physics computational-chemistry protein-ligand-interactions
Created 2024-03-05
170 commits to main branch, last one 3 days ago