Alternatives and similar repositories for AI_in_Drug_Discovery_Progress

Users that are interested in AI_in_Drug_Discovery_Progress are comparing it to the libraries listed below

• dariagrechishnikova / molecule_structure_generation
  ☆45Updated 3 years ago
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆74Updated 2 years ago
• shenwanxiang / bidd-molmap
  MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning
  ☆142Updated 4 months ago
• LLNL / FAST
  Fusion models for Atomic and molecular STructures (FAST)
  ☆92Updated 2 years ago
• Shen-Lab / DeepAffinity
  Protein-compound affinity prediction through unified RNN-CNN
  ☆147Updated last year
• ml-jku / lsc
  Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
  ☆35Updated 4 years ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆70Updated 4 years ago
• pulimeng / DeepDrug3D
  A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.
  ☆103Updated 4 years ago
• IBM / controlled-peptide-generation
  source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…
  ☆105Updated 2 years ago
• wsjeon92 / FP2VEC
  ☆17Updated 5 years ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆63Updated 3 years ago
• ardigen / mol-cycle-gan
  Mol-CycleGAN - a generative model for molecular optimization
  ☆77Updated 6 years ago
• GIST-CSBL / DeepConv-DTI
  DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences
  ☆77Updated 3 years ago
• simonfqy / PADME
  This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…
  ☆43Updated 6 years ago
• ericmjl / protein-interaction-network
  Computes a molecular graph for protein structures.
  ☆58Updated last month
• jaechanglim / GNN_DTI
  ☆67Updated 5 years ago
• prokia / drugVQA
  Predicting Drug Protein Interaction using Quasi-Visual Question Answering System
  ☆122Updated last year
• edvardlindelof / graph-neural-networks-for-drug-discovery
  ☆96Updated 5 years ago
• vibudh2209 / D2
  Speed virtual screening by 50X
  ☆94Updated 2 years ago
• zhenglz / onionnet
  A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
  ☆81Updated 4 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆53Updated 2 years ago
• XinhaoLi74 / MolPMoFiT
  ☆46Updated 3 years ago
• fouticus / pipgcn
  Protein Interface Prediction using Graph Convolutional Networks
  ☆93Updated 4 years ago
• nyu-dl / dl4chem-mgm
  ☆67Updated 3 years ago
• asarigun / awesome-denovo-papers
  Awesome De novo drugs design papers
  ☆89Updated last year
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• gadsbyfly / PyBioMed
  machine learning, molecular descriptor
  ☆117Updated 2 years ago
• drorlab / DIPS
  Database of Interacting Protein Structures (DIPS)
  ☆102Updated last year
• BenevolentAI / DeeplyTough
  DeeplyTough: Learning Structural Comparison of Protein Binding Sites
  ☆166Updated 2 years ago
• john-bradshaw / molecule-chef
  Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)
  ☆79Updated 2 years ago