DeepDTA

shen-lab/deepaffinity137

Molecular affinity predictor

A deep learning framework for predicting protein-compound affinity from molecular sequences and structures

thinng/graphdta230

Drug affinity predictor

Predicts drug-target binding affinity using graph neural networks

bjoux2/deepdtis_dbn49

Drug predictor

A Python framework for deep learning-based drug-target interaction prediction using a DBN architecture.

fangpingwan/neodti75

Drug interaction predictor

A deep learning framework for predicting new drug-target interactions by integrating neighbor information from heterogeneous networks

gist-csbl/deepconv-dti73

Drug predictor

A Python script for training and testing deep learning models to predict drug-target interactions

lehgtrung/egfr-att20

Drug predictor

A deep learning framework for predicting drug effects based on multi-input data using an attention mechanism.

lishuya17/monn100

Interaction predictor

A framework for predicting pairwise non-covalent interactions and binding affinities between compounds and proteins using machine learning

dougsm/ggcnn525

Grasp predictor

A deep learning-based system for generating precise grasp poses for robots in real-time

jaechanglim/gnn_dti66

Molecular docking predictor

This project implements a deep learning approach to predicting docking affinities for molecules with proteins

muhaochen/seq_ppi89

Protein interaction predictor

A deep learning framework for predicting protein-protein interactions based on sequence data

atomistic-machine-learning/dtnn78

Molecular predictor

An open-source Python framework for developing machine learning models to predict quantum-mechanical observables of molecular systems.

simonfqy/padme42

Drug prediction framework

A deep learning-based framework for predicting drug-target interaction from protein descriptors

kexinhuang12345/deeppurpose988

Deep modeling toolkit

A toolkit for molecular modeling and prediction tasks using deep learning

mrgemy95/visual-interaction-networks-pytorch166

Future prediction model

An implementation of Deepmind's Visual Interaction Networks using PyTorch to predict future events in physical scenes.

masashitsubaki/cpi_prediction159

CPI predictor

CPI prediction tool using graph neural networks and convolutional neural networks