PatWalters / interactive_plots

Related projects: ⓘ

• PatWalters / practicalcheminformatics
  ☆27Updated 3 years ago
• PatWalters / EFMC
  Code to accompany "Practical Cheminformatics With Open Source Software"
  ☆16Updated 2 years ago
• PatWalters / Learning_Cheminformatics
  Resources for Learning Cheminformatics with the RDKit
  ☆20Updated 5 years ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆39Updated 2 years ago
• DrrDom / spci
  Tool for mining structure-property relationships from chemical datasets
  ☆16Updated 11 months ago
• sriniker / TDT-tutorial-2014
  Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…
  ☆20Updated 6 years ago
• keiserlab / e3fp-paper
  3D molecular fingerprints (E3FP) paper repo
  ☆14Updated 3 years ago
• rdkit / PREFER
  ☆24Updated last year
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆52Updated 3 weeks ago
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆30Updated 8 months ago
• PatWalters / chembl_sim
  ChEMBL Similarity Search
  ☆16Updated 3 years ago
• SENSAAS / sensaas
  Shape-based alignment of molecules using 3D point-based representation
  ☆18Updated 6 months ago
• tevang / tutorials
  Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.
  ☆33Updated 3 years ago
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 4 years ago
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 3 years ago
• GDChCICTeam / python-for-chemists
  ☆18Updated last year
• PatWalters / solubility
  An implementation of Delaney's ESOL method using the RDKit
  ☆53Updated 6 years ago
• wolberlab / dynophores
  Dynamic pharmacophore modeling of molecular interactions
  ☆29Updated 4 months ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆26Updated 7 months ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆40Updated 3 years ago
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆22Updated 2 years ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆31Updated last year
• KramerChristian / NonadditivityAnalysis
  Code to analyze SAR datasets for Nonadditivity
  ☆18Updated 3 years ago
• iwatobipen / QSAR_TOOLBOX
  tools for building qsar models
  ☆14Updated 5 years ago
• iwatobipen / chemo_info
  ☆32Updated 3 years ago
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆16Updated 4 years ago
• czodrowskilab / 5minfame
  ☆35Updated last year
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆51Updated 3 years ago
• iwatobipen / chem_streamlit
  ☆24Updated 2 years ago
• Albert-Lau-Lab / tactics_protein_analysis
  ☆17Updated 7 months ago