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

• ml-jku / lsc
  Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
  ☆35Updated 4 years ago
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆73Updated last year
• jaechanglim / GNN_DTI
  ☆66Updated 4 years ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆62Updated 2 years ago
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 2 years ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆51Updated 3 years ago
• Shen-Lab / DeepAffinity
  Protein-compound affinity prediction through unified RNN-CNN
  ☆138Updated 5 months ago
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆49Updated last year
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆66Updated 3 years ago
• IBM / InterpretableDTIP
  InterpretableDTIP
  ☆19Updated 6 years ago
• asarigun / awesome-denovo-papers
  Awesome De novo drugs design papers
  ☆85Updated last year
• simonfqy / PADME
  This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…
  ☆42Updated 5 years ago
• zhenglz / onionnet
  A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
  ☆77Updated 4 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆51Updated last year
• PaccMann / paccmann_kinase_binding_residues
  Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…
  ☆36Updated 2 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• fouticus / pipgcn
  Protein Interface Prediction using Graph Convolutional Networks
  ☆92Updated 4 years ago
• vibudh2209 / D2
  Speed virtual screening by 50X
  ☆89Updated last year
• dariagrechishnikova / molecule_structure_generation
  ☆44Updated 3 years ago
• pulimeng / DeepDrug3D
  A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.
  ☆102Updated 3 years ago
• gadsbyfly / PyBioMed
  machine learning, molecular descriptor
  ☆111Updated last year
• ardigen / mol-cycle-gan
  Mol-CycleGAN - a generative model for molecular optimization
  ☆75Updated 5 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆137Updated 11 months ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆60Updated 8 months ago
• ericmjl / protein-interaction-network
  Computes a molecular graph for protein structures.
  ☆58Updated this week
• shenwanxiang / bidd-molmap
  MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning
  ☆139Updated 6 months ago
• Abdulk084 / Smiles2vec
  Proof of the concept implementation of smiles2vec paper
  ☆32Updated 5 years ago
• wsjeon92 / FP2VEC
  ☆17Updated 4 years ago
• nyu-dl / dl4chem-mgm
  ☆68Updated 2 years ago