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    29 repositories

    • ABIET

      Public
      Attention-Driven Molecular Evaluation: Identifying Critical Functional Groups for Biological Affinity with Transformer models
      Python
      •0•0•0•0•Updated Jul 31, 2024Jul 31, 2024

    • Deep-model-to-predict-binding-affinity

      Public
      Deep model to predict binding affinity
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Jul 10, 2024Jul 10, 2024

    • Deep-PIE

      Public
      A deep learning model for predicting the inhibitory capacity of antimicrobial peptides against E. coli.
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Jul 5, 2024Jul 5, 2024

    • Drug_Permeability_DeepModel

      Public
      Drug_Permeability_DeepModel
      Python
      •0•1•0•0•Updated Jun 26, 2024Jun 26, 2024

    • CNNSCZ

      Public
      CNN Models in Prediction of Feno Type from Genotype
      0•0•0•0•Updated May 24, 2024May 24, 2024

    • DrugCancerPredictor

      Public
      Impact of Gene Expression Data Variants on Predicting Cancer Drug Effects
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated May 16, 2024May 16, 2024

    • GenoSCZ

      Public
      Enhancing Schizophrenia Phenotype Prediction from Genotype Data through Knowledge-Driven Deep Neural Network Models
      Python
      •
      GNU General Public License v3.0
      •1•0•0•0•Updated May 16, 2024May 16, 2024

    • Drug-Target-Interaction-Predictor

      Public
      Drug-Target Interaction Prediction
      GNU General Public License v3.0
      •0•0•0•0•Updated May 14, 2024May 14, 2024

    • DTITR

      Public
      DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers
      drug-discoveryattention-mechanismdrug-target-affinitytransformer
      Python
      •5•12•2•0•Updated Nov 8, 2023Nov 8, 2023

    • targeted_generation_stereo

      Public
      Prediction of Biological Activity and Generation of molecular hits using Stereochemical Information
      Python
      •0•1•0•0•Updated Sep 26, 2023Sep 26, 2023

    • MBTR

      Public
      Metal-Binding Transformer - Zinc Application
      Python
      •0•0•0•0•Updated Sep 13, 2023Sep 13, 2023

    • TAG-DTA

      Public
      TAG-DTA: Binding Region-Guided Strategy to Predict Drug-Target Affinity Using Transformers
      deep-learningtransformer-encoderbinding-affinitydrug-target-interactionbinding-pocket
      Python
      •0•4•2•0•Updated Sep 12, 2023Sep 12, 2023

    • FSM-DDTR

      Public
      Python
      •0•4•0•0•Updated Aug 2, 2023Aug 2, 2023

    • transf_rl_usp7

      Public
      Python
      •0•4•1•0•Updated Jun 28, 2023Jun 28, 2023

    • DeepModel-Anticancer-Predictor

      Public
      Deep Modelling for Anticancer Drug Response through Genomic Profiles and Compound Structures
      Python
      •
      GNU General Public License v3.0
      •0•3•1•0•Updated Sep 20, 2022Sep 20, 2022

    • GAN-Drug-Generator

      Public
      Generative Adversarial Network: Optimization in Targeted Design
      Python
      •
      GNU General Public License v3.0
      •5•12•1•0•Updated Apr 12, 2022Apr 12, 2022

    • Explainable-Deep-DT-Representations

      Public
      Explainable Deep Drug-Target Representations for Binding Affinity Prediction
      Python
      •1•5•0•0•Updated Mar 30, 2022Mar 30, 2022

    • -GCNNs-

      Public
      GNU General Public License v3.0
      •0•0•0•0•Updated Feb 15, 2022Feb 15, 2022

    • KL_divergence_loss

      Public
      Variational Autoencoder with kl divergence loss function implemented with tensorflow and keras
      Python
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Nov 25, 2021Nov 25, 2021

    • RNN-Drug-Generation

      Public
      A Study on Recurrent Architecture for De Novo Drug Generation
      Python
      •
      GNU General Public License v3.0
      •2•2•0•0•Updated Sep 14, 2021Sep 14, 2021

    • moleculardocking

      Public
      molecular docking
      Apache License 2.0
      •0•0•0•0•Updated Jun 15, 2021Jun 15, 2021

    • larngroup.github.io

      Public
      Multiobjective Reinforcement Learning Description
      JavaScript
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated May 16, 2021May 16, 2021

    • De-Novo-Drug-Design

      Public
      Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design
      Python
      •8•12•1•0•Updated Apr 22, 2021Apr 22, 2021

    • DiverseDRL

      Public
      Python
      •
      GNU General Public License v3.0
      •9•12•1•0•Updated Nov 15, 2020Nov 15, 2020

    • Agnostic_DL_Protein_Protein_Interaction

      Public
      Dataset agnostic deep learning architectures to predict protein-protein interactions
      Python
      •
      GNU General Public License v3.0
      •3•3•1•0•Updated Jun 13, 2020Jun 13, 2020

    • One_Shot_Siamese_Net_Drug_Discovery

      Public
      drug-discoverydrugone-shot-learningsiamese-neural-networkdrug-drug-interactiondrug-target-interactions
      Python
      •0•2•0•0•Updated Jun 10, 2020Jun 10, 2020

    • DTI-End-to-End-DL

      Public
      Drug-Target Interaction Prediction: End-to-End Deep Learning
      Python
      •3•3•0•0•Updated Dec 10, 2019Dec 10, 2019

    • CRoP

      Public
      0•0•0•0•Updated Mar 16, 2019Mar 16, 2019

    • DTIpred

      Public
      Drug-Target Interaction Prediction
      bioinformatics
      0•0•0•0•Updated Mar 7, 2019Mar 7, 2019