drug-target-interactions

There are 55 repositories under drug-target-interactions topic.

  • kexinhuang12345/DeepPurpose

    A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

    Language:Jupyter Notebook93231129267

  • cansyl/DEEPScreen

    DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images

    Language:Python108151442
  • awesome-drug-pair-scoring

    AstraZeneca/awesome-drug-pair-scoring

    Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)

    8612014

  • HUBioDataLab/DrugGEN

    Official implementation of DrugGEN

    Language:Python427413

  • deargen/mt-dti

    An official Molecule Transformer Drug Target Interaction (MT-DTI) model

    Language:Python358120

  • ml-jku/hyper-dti

    HyperPCM: Robust task-conditioned modeling of drug-target interactions

    Language:Python33804

  • 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.

    Language:Python32300

  • nrohani/NDD

    Drug-Drug Interaction Predicting by Neural Network Using Integrated Similarity

    Language:Python271316
  • fingeRNAt

    n-szulc/fingeRNAt

    Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.

    Language:Python24226

  • sigven/pharmOncoX

    Targeted and non-targeted anticancer drugs and drug regimens

    Language:R24201

  • deargen/MT-ENet

    Repository for "Improving evidential deep learning via multi-task learning," published in AAAI2022

    Language:Python17600

  • 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.

    Language:Python17214

  • dgidb/dgidb-v5

    Providing interactions between drugs and genes sourced from a variety of publications and knowledgebases

    Language:Ruby1262742

  • 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

    Language:Kotlin12212

  • zhanglu-cst/Drug-Target-Interaction

    Predict whether the protien sequence and the drug SMILES will be interact with each other

    Language:Python12111
  • deep-purpose-tutorial

    ssiddhantsharma/deep-purpose-tutorial

    Repository for the HackBio'2021 Internship for Team Drug-Development-A

    Language:Jupyter Notebook112013

  • 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.

    Language:Python10501

  • Knowledge-Graph-Hub/kg-idg

    A Knowledge Graph to Illuminate the Druggable Genome

    Language:Jupyter Notebook92602

  • bbrighttaer/ivpgan

    Integrated View Predictive GAN for Drug-Target Indication Prediction

    Language:Python8304

  • rongma6/QSARMPC_DTIMPC

    Secure multiparty computation for privacy-preserving drug discovery

    Language:Python7204

  • VeaLi/MLT-LE

    MLT-LE: predicting drug–target binding affinity with multi-task residual neural networks : https://arxiv.org/abs/2209.06274

    Language:Python7101

  • nrohani/ISCMF

    ISCMF: Integrated Similarity-Constrained Matrix Factorization for Drug-Drug Interaction Prediction

    Language:Python6106

  • aminkhod/Drug-Target_Interaction_prediction

    M.Sc-final-project

    Language:Python5102

  • 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.

    Language:Python5343

  • MaastrichtU-IDS/predict-drug-target

    Using ESM2 protein embeddings and MolecularTransformer drug embeddings to train a linear classifier to predict potential drug-targets interactions

    Language:Python5222

  • omics-datascience/BioAPI

    A powerful abstraction of gene databases

    Language:Python5400

  • Sabro98/GA-WeightedEditSimilarity

    Official implementation of "Weighted Weighted Edit Distance optimized using Genetic Algorithm for SMILES-based Compound Similarity, PAAA(SCIE)".

    Language:Python5100

  • 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

    Language:Jupyter Notebook5306

  • gxCaesar/VAERHNN

    Voting-averaged ensemble regression and hybrid neural networks to investigate potent leads against colorectal cancer

    Language:Python4100
  • APRILE-Exp

    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".

    Language:Python4402

  • yellajaswanth/MGATRx

    Language:Python3222

  • chembl/compound_target_pairs_dataset

    Automatic extraction of interacting compound-target pairs from ChEMBL.

    Language:Python220

  • cvigilv/simspread

    De novo target prediction by chemical similarity-guided network-based inference

    Language:Julia2100

  • kalleknast/BindingAffinity

    Exploring deep learning for predicting the binding affinity between a small molecule (i.e. a drug) and a protein.

    Language:Python2310

  • PaulsGitHubs/Electrophysiology-Chemical-Drug-Signal-Identification

    Electrophysiology Chemical Drug Signal Identification, Fentanyl data...

    Language:Python2200

  • ytabatabaee/DL4H

    Final Project of Deep Learning for Healthcare Spring 2022 - Reproducing DeepDTA

    Language:Jupyter Notebook2100