DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Predi
Jupyter Notebook870bsd-3-clause
6 months ago
bioinformaticscovid19ddi
dockstring
A Python package for molecular docking with an extensive, highly-curated dataset
Python124apache-2.0
8 months ago
chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD
Python690apache-2.0
8 months ago
biologychemistrydeep-chemistry
awesome-small-molecule-ml
A curated list of resources for machine learning for small-molecule drug discove
165cc0-1.0
5 months ago
awesomeawesome-listbioinformatics
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Sci
Python4977mit
2 months ago
biologydeep-learningdrug-discovery
OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Rese
Python642mit
5 months ago
computational-biologycomputational-chemistrydeep-learning
teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using o
Jupyter Notebook642cc-by-4.0
3 months ago
awesome-drug-pair-scoring
Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring."
85apache-2.0
2 years ago
chemistryddidecagon
DRKG
A knowledge graph and a set of tools for drug repurposing
Jupyter Notebook529apache-2.0
2 years ago
dgldgl-kedrug-repurposing
Child Resus Calc
This App provides fast calculation of endotracheal tube size, defibrillation ene
Java0gpl-3.0
5 years ago
Defibrillation EnergyDrug DosesPaediatric Life Support
NeoDTI
NeoDTI: Neural integration of neighbor information from a heterogeneous network
Python70apache-2.0
3 years ago
bioinformaticscomputational-biologydeep-learning