Alternatives and similar repositories for Generative-Molecules

Users that are interested in Generative-Molecules are comparing it to the libraries listed below

• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆71Updated 2 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• 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
• sirimullalab / KinasepKipred
  Model to predict kinase-ligand pKi values.
  ☆12Updated last year
• DS3Lab / RosENet
  ☆37Updated 4 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• XericZephyr / seq2seq-fingerprint
  Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".
  ☆39Updated 7 years ago
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆18Updated 3 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆31Updated last year
• CanisW / TF3P
  Three-dimensional force fields fingerprints
  ☆28Updated 3 years ago
• Shen-Lab / gcWGAN
  Guided Conditional Wasserstein GAN for De Novo Protein Design
  ☆37Updated 4 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• swansonk14 / chemprop-factor
  Matrix factorization and deep learning for molecular property prediction
  ☆13Updated 6 years ago
• XinhaoLi74 / MolPMoFiT
  ☆46Updated 2 years ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆70Updated 4 years ago
• yangkevin2 / lsc_experiments
  Scripts for running lsc model on other datasets
  ☆13Updated 5 years ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆51Updated 6 years ago
• undeadpixel / reinvent-gdb13
  A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13
  ☆29Updated 5 years ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆32Updated last year
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated 2 years ago
• i-Molecule / bitenet
  Spatiotemporal identification of druggable binding sites using deep learning
  ☆22Updated 4 years ago
• ml-jku / lsc
  Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
  ☆35Updated 4 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆20Updated 4 years ago
• nyu-dl / dl4chem-geometry
  ☆63Updated 6 years ago
• jensengroup / GB-GM
  Graph-based generative model
  ☆23Updated 6 years ago
• grisoniFr / whales_descriptors
  python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
  ☆26Updated 3 years ago
• undeadpixel / reinvent-scaffold-decorator
  A SMILES-based encoder-decoder architecture for molecular scaffold decoration
  ☆80Updated 5 years ago
• opensourceantibiotics / murligase
  Everything to do with the Mur Ligase Project
  ☆28Updated 2 months ago