DeepPurpose

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

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

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Sci

Python4977mit

2 months ago

biologydeep-learningdrug-discovery

OpenChem

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

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

dgidb

Rails frontend to The Genome Institute's drug gene interaction database.

Ruby93mit

last year

NeoDTI

NeoDTI: Neural integration of neighbor information from a heterogeneous network

Python70apache-2.0

3 years ago

bioinformaticscomputational-biologydeep-learning