Alternatives and similar repositories for neo4j-rdkit

Users that are interested in neo4j-rdkit are comparing it to the libraries listed below

• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 7 months ago
• rvianello / razi
  A cheminformatics extension for the SQLAlchemy database toolkit.
  ☆40Updated 4 months ago
• chembl / chembl_beaker
  RDKit wrapper
  ☆50Updated last year
• sdecesco / targetDB
  TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…
  ☆32Updated last year
• InformaticsMatters / docker-rdkit
  ☆36Updated last month
• iwatobipen / chemo_info
  ☆32Updated 8 months ago
• isidroc / bioalerts
  Derivation of structural alerts from bioactivity data sets
  ☆31Updated 9 years ago
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 7 years ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 4 years ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆86Updated 3 months ago
• ljmartin / dockviz
  docking visualization with py3dmol and streamlit
  ☆24Updated 4 years ago
• Novartis / pQSAR
  Massively multitask stacked model for predicting activity of thousands of biological assays
  ☆34Updated 4 years ago
• DrrDom / spci
  Tool for mining structure-property relationships from chemical datasets
  ☆16Updated 2 months ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆59Updated this week
• iwatobipen / chem_streamlit
  ☆26Updated 4 years ago
• eloyfelix / blog_notebooks
  blogpost notebooks
  ☆20Updated 5 years ago
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆79Updated 3 years ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆62Updated 3 years ago
• chembl / surechembl-data-client
  A collection of scripts for retrieving, storing, and querying SureChEMBL data.
  ☆41Updated last year
• cdk / depict
  SMILES Depiction Generator
  ☆63Updated 2 months ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆119Updated 2 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 5 years ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆103Updated last month
• rasbt / Hbind
  Calculates hydrogen-bond interaction tables for protein-small molecule complexes, based on protein PDB and protonated ligand MOL2 structu…
  ☆28Updated 6 years ago
• chembl / GLaDOS
  Web Interface for ChEMBL @ EMBL-EBI
  ☆53Updated 3 years ago
• schrodinger / schrodingerdeepchem
  Deep-learning models for Drug Discovery and Quantum Chemistry
  ☆28Updated 8 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆47Updated 4 years ago
• sirimullalab / openDMPK
  Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…
  ☆26Updated 4 years ago