rdkit / UGM_2019

Related projects ⓘ

Alternatives and complementary repositories for UGM_2019

• iwatobipen / chemo_info
  ☆32Updated 3 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆34Updated 10 months ago
• UnixJunkie / smi2sdf3d
  3D diverse conformers generation using rdkit
  ☆22Updated 2 years ago
• ljmartin / dockviz
  docking visualization with py3dmol and streamlit
  ☆23Updated 3 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 3 years ago
• KramerChristian / NonadditivityAnalysis
  Code to analyze SAR datasets for Nonadditivity
  ☆18Updated 3 years ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 4 years ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆43Updated last year
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆50Updated 5 years ago
• rdkit / AutomatedSeriesClassification
  ☆22Updated 3 years ago
• mahendra-awale / medchem_moves
  ☆44Updated 4 years ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated last year
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆46Updated 3 years ago
• cyclica / deriver
  ☆10Updated last year
• ljmartin / dockop
  faster docking
  ☆19Updated 3 years ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆45Updated 6 years ago
• MarcusOlivecrona / MolExplorer
  A lightweight visualization tool for molecules and their properties
  ☆13Updated 7 years ago
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 5 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆40Updated 3 years ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆26Updated 9 months ago
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆40Updated 7 months ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆52Updated this week
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆31Updated last year
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆69Updated 9 months ago
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆22Updated last month
• jrwnter / gruenifai
  Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space
  ☆29Updated last year
• DrrDom / spci
  Tool for mining structure-property relationships from chemical datasets
  ☆16Updated 2 weeks ago