7 results found Sort:

kexinhuang12345
DeepPurpose kexinhuang12345
278
993
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 6 months ago
forlilab
Meeko forlilab
50
212
lgpl-2.1
10
Interface for AutoDock, molecule parameterization
chemistry drug-design drug-discovery molecular-modeling drug-target-interactions
Created 2020-11-07
908 commits to release branch, last one about a month 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 8 months 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
HUBioDataLab
DrugGEN HUBioDataLab
16
54
gpl-3.0
7
Official implementation of DrugGEN
pytorch transformer deep-learning denovo-design drug-discovery machine-learning generative-models graph-neural-networks drug-target-interactions generative-adversarial-network
Created 2022-09-09
401 commits to master branch, last one 5 months ago
ml-jku
hyper-dti ml-jku
5
36
mit
8
HyperPCM: Robust task-conditioned modeling of drug-target interactions
pytorch deep-learning hypernetworks drug-discovery proteochemometrics drug-target-interactions
Created 2022-06-29
75 commits to main branch, last one 3 months ago
Lzcstan
DrugLAMP Lzcstan
0
34
unknown
3
A PyTorch-based system for highly accurate drug-target interaction predictions utilizing multi-modal large language models to discern structural affinities in drug-target pairs.
attention-mechanism contrastive-learning drug-target-interactions multimodal-large-language-models
Created 2023-12-22
8 commits to main branch, last one 9 months ago