awesome-drug-pair-scoring
Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring."
88apache-2.0
2 years ago
chemistryddidecagon
DRKG
A knowledge graph and a set of tools for drug repurposing
Jupyter Notebook570apache-2.0
3 years ago
dgldgl-kedrug-repurposing
DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Predi
Jupyter Notebook975bsd-3-clause
6 months ago
bioinformaticscovid19ddi
heteronet
GNN-based gene-selection deep learning model for drug response prediction
Python0
9 months ago
dockstring
A Python package for molecular docking with an extensive, highly-curated dataset
Python146apache-2.0
4 months ago
awesome-small-molecule-ml
A curated list of resources for machine learning for small-molecule drug discove
199cc0-1.0
last year
awesomeawesome-listbioinformatics
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Sci
Python5324mit
4 months ago
biologydeep-learningdrug-discovery
NeoDTI
NeoDTI: Neural integration of neighbor information from a heterogeneous network
Python74apache-2.0
4 years ago
bioinformaticscomputational-biologydeep-learning
awesome-drug-pair-scoring
Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring."
88apache-2.0
2 years ago
chemistryddidecagon
DRKG
A knowledge graph and a set of tools for drug repurposing
Jupyter Notebook570apache-2.0
3 years ago
dgldgl-kedrug-repurposing
DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Predi
Jupyter Notebook975bsd-3-clause
6 months ago
bioinformaticscovid19ddi
heteronet
GNN-based gene-selection deep learning model for drug response prediction
Python0
9 months ago
dockstring
A Python package for molecular docking with an extensive, highly-curated dataset
Python146apache-2.0
4 months ago
awesome-small-molecule-ml
A curated list of resources for machine learning for small-molecule drug discove
199cc0-1.0
last year
awesomeawesome-listbioinformatics
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Sci
Python5324mit
4 months ago
biologydeep-learningdrug-discovery
NeoDTI
NeoDTI: Neural integration of neighbor information from a heterogeneous network
Python74apache-2.0
4 years ago
bioinformaticscomputational-biologydeep-learning
bert-loves-chemistry
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMI
Jupyter Notebook410mit
28 days ago
bertchemical-modellingchemical-smiles-data
OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Rese
Python681mit
12 months ago
computational-biologycomputational-chemistrydeep-learning
teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using o
Jupyter Notebook785cc-by-4.0
4 months ago