drug-target-interactions
There are 61 repositories under drug-target-interactions topic.
kexinhuang12345/DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
forlilab/Meeko
Interface for AutoDock, molecule parameterization
cansyl/DEEPScreen
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
AstraZeneca/awesome-drug-pair-scoring
Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)
HUBioDataLab/DrugGEN
Official implementation of DrugGEN
ml-jku/hyper-dti
HyperPCM: Robust task-conditioned modeling of drug-target interactions
deargen/mt-dti
An official Molecule Transformer Drug Target Interaction (MT-DTI) model
Lzcstan/DrugLAMP
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.
nrohani/NDD
Drug-Drug Interaction Predicting by Neural Network Using Integrated Similarity
n-szulc/fingeRNAt
Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.
sigven/pharmOncoX
Targeted and non-targeted anticancer drugs and drug regimens
yazdanimehdi/DeepDrugDomain
DeepDrugDomain: A versatile Python toolkit for streamlined preprocessing and accurate prediction of drug-target interactions and binding affinities, leveraging deep learning for advancing computational drug discovery.
dgidb/dgidb-v5
Providing interactions between drugs and genes sourced from a variety of publications and knowledgebases
deargen/MT-ENet
Repository for "Improving evidential deep learning via multi-task learning," published in AAAI2022
BIMSBbioinfo/CompassDock
Official Implementation of CompassDock
Zainul-Code/Medich-App
Medich is an application that raises the problem of satisfaction related to BPJS, especially in the lower classes, with Medich being able to solve all these problems. Medich has a Donation feature that will be very useful for the Community
zhanglu-cst/Drug-Target-Interaction
Predict whether the protien sequence and the drug SMILES will be interact with each other
chembl/compound_target_pairs_dataset
Automatic extraction of interacting compound-target pairs from ChEMBL.
ssiddhantsharma/deep-purpose-tutorial
Repository for the HackBio'2021 Internship for Team Drug-Development-A
ZhaohanM/FusionDTI
FusionDTI utilises a Token-level Fusion module to effectively learn fine-grained information for Drug-Target Interaction Prediction.
neuroeeg/ANN4EEG
ANN4EEG is a convolutional neural network toolkit for EEG-mediated drug-target interaction prediction. This approach for drug-target interaction prediction can explain the mechanisms underlying complicated drug actions, as it allows the identification of similarities in the mechanisms of action and effects of psychotropic drugs.
bbrighttaer/ivpgan
Integrated View Predictive GAN for Drug-Target Indication Prediction
Knowledge-Graph-Hub/kg-idg
A Knowledge Graph to Illuminate the Druggable Genome
MaastrichtU-IDS/predict-drug-target
Using ESM2 protein embeddings and MolecularTransformer drug embeddings to train a linear classifier to predict potential drug-targets interactions
rongma6/QSARMPC_DTIMPC
Secure multiparty computation for privacy-preserving drug discovery
VeaLi/MLT-LE
MLT-LE: predicting drug–target binding affinity with multi-task residual neural networks : https://arxiv.org/abs/2209.06274
dmyersturnbull/mandos
Fetch pharmacological knowledge on chemical compounds and squeeze it into semantic triples. For analysis of chemical screens and training and evaluation of algorithms.
nrohani/ISCMF
ISCMF: Integrated Similarity-Constrained Matrix Factorization for Drug-Drug Interaction Prediction
aminkhod/Drug-Target_Interaction_prediction
M.Sc-final-project
gxCaesar/VAERHNN
Voting-averaged ensemble regression and hybrid neural networks to investigate potent leads against colorectal cancer
maxischuh/BarlowDTI
Accurate prediction of drug–target interactions in drug discovery.
omics-datascience/BioAPI
A powerful abstraction of gene databases
Sabro98/GA-WeightedEditSimilarity
Official implementation of "Weighted Weighted Edit Distance optimized using Genetic Algorithm for SMILES-based Compound Similarity, PAAA(SCIE)".
sumanismcse/Extraction-of-Adverse-Drug-Reaction-from-Unstructured-Data-using-Bidirectional-LSTM-Network
For this problem, we proposed the use of bidirectional-LSTM’s(Long Short Term Memory) with 1-D CNN layer to classify patient notes at character level and at word level. The 1-D CNN is employed to scale back the training time. In order to improve the performance, we will also feed the network combined word embedding consisting of Pre-trained word2vec 100 dimension word embedding trained on the Twitter ADR Dataset database and character embedding generated by a Char-CNN for Named Entity Recognition
NYXFLOWER/APRILE-Exp
This is the repository for reproducing results in "APRILE: Exploring the Molecular Mechanisms of Drug Side Effects with Explainable Graph Neural Networks".
kalleknast/BindingAffinity
Exploring deep learning for predicting the binding affinity between a small molecule (i.e. a drug) and a protein.