rvianello / raziView external linksLinks
A cheminformatics extension for the SQLAlchemy database toolkit.
☆40Sep 11, 2025Updated 5 months ago
Alternatives and similar repositories for razi
Users that are interested in razi are comparing it to the libraries listed below
Sorting:
- RDKit integration to SQLAlchemy☆10Oct 6, 2020Updated 5 years ago
- PostgreSQL Docker image with RDKit cartridge☆19May 18, 2020Updated 5 years ago
- 3D diverse conformers generation using rdkit☆23Mar 10, 2022Updated 3 years ago
- Chemical Database Expander. For a given target compound, it generates a virtual chemical bank of analogues by replacing the substructures…☆14Jan 28, 2024Updated 2 years ago
- Create molecular hashes☆27Jul 18, 2019Updated 6 years ago
- SMILES Toolkit☆25Jul 9, 2025Updated 7 months ago
- SMILES reading benchmark☆16Aug 17, 2018Updated 7 years ago
- Hierarchical template correction for chemical reactions☆20Aug 9, 2024Updated last year
- Tool for mining structure-property relationships from chemical datasets☆16Jan 17, 2026Updated 3 weeks ago
- The PostgreSQL image, just extended with the RDKit cartridge☆19Jul 18, 2024Updated last year
- An SQLite extension for chemoinformatics applications.☆62Oct 17, 2025Updated 3 months ago
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆27Dec 3, 2025Updated 2 months ago
- C++/Python Library for Systematic Chemical Space Exploration☆24Dec 21, 2021Updated 4 years ago
- ☆55Dec 12, 2025Updated 2 months ago
- Repository for Chemical Perception Sampling Tools☆21Aug 13, 2024Updated last year
- Obsolete codebase, please do not use.☆35Jan 3, 2023Updated 3 years ago
- Universal cheminformatics toolkit, utilities and database search tools☆377Updated this week
- rdkit scripts making life easier☆77Dec 22, 2025Updated last month
- Ideas for chemical similarity searches in MongoDB.☆27Feb 8, 2015Updated 11 years ago
- Data repository for pkasolver☆12Mar 28, 2022Updated 3 years ago
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Apr 11, 2021Updated 4 years ago
- ☆10Sep 25, 2019Updated 6 years ago
- ☆11Apr 22, 2024Updated last year
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Mar 29, 2021Updated 4 years ago
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆12Dec 19, 2017Updated 8 years ago
- Synthetic Bayesian Classification☆49Jan 18, 2021Updated 5 years ago
- Molecule Validation and Standardization☆180Apr 16, 2020Updated 5 years ago
- psi4+RDKit☆105May 13, 2025Updated 9 months ago
- Molecular Processing Made Easy.☆527Jun 10, 2024Updated last year
- The database and API backend for ZincBind - the database of zinc binding sites☆16Apr 8, 2025Updated 10 months ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.☆13May 29, 2020Updated 5 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated last year
- A molecular identifier and descriptor for all domains of chemistry.☆25Dec 23, 2025Updated last month
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆79Jan 11, 2022Updated 4 years ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆82Updated this week
- A chemical Organic Synthesis Exploration Tool☆11Nov 19, 2018Updated 7 years ago
- Convergence of multiple synthetic paradigms in a universally programable chemical synthesis machine☆12Feb 9, 2021Updated 5 years ago