tsudalab / rxngenerator

Related projects ⓘ

Alternatives and complementary repositories for rxngenerator

• KeenThera / fragment_generation
  ☆12Updated last year
• alberdom88 / moo-denovo
  Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization
  ☆13Updated 4 years ago
• n-yoshikawa / ob-fragment-generation
  ☆12Updated 5 years ago
• nadinulrich / log_P_prediction
  ☆11Updated 3 years ago
• tsudalab / ACP4
  AutoCorrelation of Pharmacophore Features
  ☆15Updated last year
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• Team-SKI / Publications
  Supporting Information of Publications
  ☆14Updated 5 years ago
• sekijima-lab / SIEVE-Score
  SIEVE-Score: interaction energy-based virtual screening method based on random forest.
  ☆14Updated last year
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 4 years ago
• jcheminform / fpadmet
  ☆9Updated 3 years ago
• Jonas-Verhellen / MolecularGraphPareto
  ☆13Updated 10 months ago
• Laboratoire-de-Chemoinformatique / hyfactor
  Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
  ☆17Updated last year
• TanemuraKiyoto / AutoGraph
  AutoGraph: autonomous graph based clustering of metabolite conformations
  ☆12Updated 2 years ago
• iwatobipen / rdkit_pains
  pains filter using rdktit
  ☆11Updated 9 years ago
• oxpig / fragment-ranking
  A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …
  ☆9Updated 2 years ago
• fimrie / DEVELOP
  ☆14Updated 2 years ago
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆11Updated 5 years ago
• SENSAAS / sensaas
  Shape-based alignment of molecules using 3D point-based representation
  ☆18Updated 8 months ago
• cyclica / deriver
  ☆10Updated last year
• reymond-group / PeptideDesignGA
  ☆14Updated 3 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 3 years ago
• molecule-generator-collection / QCforever
  ☆23Updated last month
• pzc / herg_chembl_jcim
  RDKit code for the JCIM article
  ☆16Updated 11 years ago
• PatWalters / sfi
  An implementation of the Solubility Forecast Index (SFI)
  ☆19Updated 2 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆23Updated last year
• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆17Updated 3 weeks ago
• iwatobipen / QSAR_TOOLBOX
  tools for building qsar models
  ☆14Updated 5 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆24Updated 6 months ago