Alternatives and similar repositories for CDN_Molecule

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

• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆17Updated 5 years ago
• n-yoshikawa / ob-fragment-generation
  ☆12Updated 6 years ago
• HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means
  ☆16Updated last year
• SYSU-RCDD / QBMG
  QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network
  ☆19Updated 6 years ago
• keiserlab / e3fp-paper
  3D molecular fingerprints (E3FP) paper repo
  ☆15Updated 4 years ago
• alberdom88 / moo-denovo
  Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization
  ☆13Updated 5 years ago
• daiki-ko / Metric_MHG-VAE
  ☆10Updated 4 years ago
• sdecesco / CNS_MPO
  Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score
  ☆11Updated 6 years ago
• xiaotaw / chembl
  Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.
  ☆15Updated 7 years ago
• Jonas-Verhellen / MolecularGraphPareto
  ☆14Updated last year
• ml-jku / lsc
  Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
  ☆35Updated 4 years ago
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆19Updated 11 months ago
• exalearn / molecular-graph-descriptors
  Codebase to accompany the paper A Look Inside the Black Box: Using Graph-Theoretical Descriptors to Interpret a Continuous-Filter Convolu…
  ☆12Updated 4 years ago
• samoturk / mol2vec_notebooks
  Mol2vec notebooks for use with Binder service
  ☆29Updated 7 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• huluxiaohuowa / scaffold_network_generator
  Scaffold Network Generator
  ☆7Updated 5 years ago
• swansonk14 / chemprop-factor
  Matrix factorization and deep learning for molecular property prediction
  ☆13Updated 6 years ago
• kexinhuang12345 / MolDesigner-Public
  MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)
  ☆16Updated 4 years ago
• tsudalab / rxngenerator
  A generative model for molecular generation via multi-step chemical reactions
  ☆14Updated 11 months ago
• MolecularAI / Deep-Drug-Coder
  ☆17Updated 2 years ago
• chengwang88 / vina4dv
  A fork of Autodock Vina for DeltaVina scoring function
  ☆8Updated 8 years ago
• bigchem / retrosynthesis
  Applying deep neural networks for retrosynthesis tasks
  ☆36Updated 5 years ago
• ncats / herg-ml
  ☆16Updated 2 years ago
• CanisW / TF3P
  Three-dimensional force fields fingerprints
  ☆28Updated 3 years ago
• GLambard / inverse-molecular-design
  Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…
  ☆16Updated 7 years ago
• Laboratoire-de-Chemoinformatique / hyfactor
  Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
  ☆18Updated 2 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆20Updated 4 years ago
• pzc / herg_chembl_jcim
  RDKit code for the JCIM article
  ☆16Updated 11 years ago
• philspence / gendock
  Python package for virtual screening of generated molecules using autodock-vina and tensorflow
  ☆14Updated 4 years ago