Alternatives and similar repositories for cocrystal_design

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

• tbwxmu / SAMPN
  ☆47Updated 5 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆88Updated last year
• idrugLab / FP-GNN
  ☆67Updated 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
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆53Updated 5 years ago
• uta-smile / SMILES-BERT
  ☆51Updated 4 years ago
• hcji / PyFingerprint
  Python tool for generate fingerprints of a molecule
  ☆83Updated 3 months ago
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆52Updated 4 years ago
• akensert / molgraph
  Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.
  ☆60Updated last month
• chenxiaowei-vincent / XGraphBoost
  ☆58Updated 4 years ago
• zinph / Cheminformatics
  All the handy little scripts for cheminformatics related projects
  ☆34Updated 2 years ago
• smu-tao-group / ADMET_XGBoost
  Accurate ADMET Prediction with XGBoost
  ☆39Updated 2 years ago
• oxpig / DeLinker
  ☆131Updated 2 years ago
• coleygroup / del_qsar
  ☆31Updated 3 years ago
• KailiWang1 / DeepDTAF
  a deep learning architecture for protein-ligand binding affinity prediction
  ☆76Updated last year
• Bibyutatsu / FastJTNNpy3
  AI for discovering 100% valid drug like molecules, a combination of VAE-JTNN and bayesian optimization, an optimized Python 3 Version of …
  ☆51Updated 5 years ago
• rnepal2 / Solubility-Prediction-with-Graph-Neural-Networks
  GNN, GCN, Molecular Solubility, RDKit, Cheminformatics
  ☆44Updated 4 months ago
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆51Updated 2 years ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆51Updated 6 years ago
• lishuya17 / MONN
  MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…
  ☆104Updated 5 years ago
• theochem / B3DB
  A large benchmark dataset, Blood-Brain Barrier Database (B3DB), complied from 50 published resources.
  ☆66Updated 3 weeks ago
• jaechanglim / molecule-generator
  Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks
  ☆29Updated 6 years ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆50Updated 4 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆56Updated 3 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆29Updated 2 years ago
• bm2-lab / DeepReac
  ☆16Updated 4 years ago
• guaguabujianle / MGraphDTA
  ☆55Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago