Alternatives and similar repositories for SAMPN

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

• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆20Updated 4 years ago
• XinhaoLi74 / Hierarchical-QSAR-Modeling
  ☆32Updated 6 years ago
• hcji / PyFingerprint
  Python tool for generate fingerprints of a molecule
  ☆85Updated 7 months ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆64Updated 4 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆52Updated 5 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 5 years ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆77Updated 2 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆24Updated 5 months ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆92Updated 2 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated 2 years ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆52Updated 6 years ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆50Updated 4 years ago
• rnepal2 / Solubility-Prediction-with-Graph-Neural-Networks
  GNN, GCN, Molecular Solubility, RDKit, Cheminformatics
  ☆47Updated 8 months ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆77Updated last year
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 3 years ago
• kotori-y / Scopy
  An integrated negative design python library for desirable HTS/VS database design
  ☆46Updated 2 years ago
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆47Updated 5 years ago
• MolecularAI / Lib-INVENT
  ☆64Updated 2 years ago
• danielvlla / Few-Shot-Learning-for-Low-Data-Drug-Discovery
  Few-shot machine learning for low-data drug discovery.
  ☆19Updated 3 years ago
• zinph / Cheminformatics
  All the handy little scripts for cheminformatics related projects
  ☆34Updated 2 years ago
• fimrie / DeepCoy
  ☆30Updated last year
• jaechanglim / GGM
  graph generative model for molecule
  ☆40Updated 6 years ago
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆53Updated 3 years ago
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆50Updated 4 years ago
• jaechanglim / molecule-generator
  Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks
  ☆29Updated 6 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆50Updated 5 years ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆40Updated 7 months ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆68Updated 2 years ago
• PatWalters / kmeans
  K-means clustering
  ☆22Updated 4 years ago
• Bibyutatsu / FastJTNNpy3
  AI for discovering 100% valid drug like molecules, a combination of VAE-JTNN and bayesian optimization, an optimized Python 3 Version of …
  ☆53Updated 5 years ago