Alternatives and similar repositories for rdkit-sys

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

• chrissly31415 / rdkitcffi
  Rust wrapper for the RDKit using CFFI
  ☆16Updated last month
• rdkit-rs / rdkit
  RDKit Made Idiomatic for Rust
  ☆24Updated 7 months ago
• douweschulte / pdbtbx
  A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
  ☆60Updated 5 months ago
• lightdock / lightdock-rust
  A Rust implementation of the LightDock macromolecular docking software
  ☆29Updated last year
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆106Updated 11 months ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆40Updated 8 years ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆45Updated last month
• reymond-group / mhfp
  Molecular MHFP fingerprints for cheminformatics applications
  ☆89Updated 2 years ago
• yesint / molar
  Repository for molar crate and its dependencies
  ☆32Updated this week
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆90Updated 3 months ago
• duerrsimon / substrate-scope-plot
  ☆55Updated last month
• healx / lig3dlens
  ☆54Updated 4 months ago
• maxall41 / RustSASA
  A Rust library for calculating the SASA/ASA for each atom in a protein. Based on the Shrake & Rupley algorithm.
  ☆10Updated this week
• prcurran / hotspots
  A knowledge-based method for determining small molecule binding "hotspots".
  ☆37Updated last year
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 5 years ago
• dehaenw / ECFPinvert
  Algorithmic inversion of extended connectivity fingerprints (ECFP)
  ☆18Updated 9 months ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆77Updated last week
• czodrowskilab / VSFlow
  ☆92Updated 4 months ago
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆42Updated last year
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆90Updated 2 years ago
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆71Updated last year
• rareylab / RingDecomposerLib
  Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)
  ☆18Updated 11 months ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆84Updated 2 weeks ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆62Updated 3 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆81Updated 6 months ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆104Updated 2 months ago
• rapodaca / chemcore
  A cheminformatics toolkit for Rust.
  ☆72Updated 4 years ago
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 4 years ago
• rvianello / chemicalite
  An SQLite extension for chemoinformatics applications.
  ☆59Updated 4 months ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆137Updated 2 months ago