A cheminformatics extension for the SQLAlchemy database toolkit.
☆40Sep 11, 2025Updated 7 months ago
Alternatives and similar repositories for razi
Users that are interested in razi are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- RDKit integration to SQLAlchemy☆10Oct 6, 2020Updated 5 years ago
- PostgreSQL Docker image with RDKit cartridge☆19May 18, 2020Updated 5 years ago
- Create molecular hashes☆27Jul 18, 2019Updated 6 years ago
- 3D diverse conformers generation using rdkit☆23Mar 10, 2022Updated 4 years ago
- ☆55Dec 12, 2025Updated 4 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- The PostgreSQL image, just extended with the RDKit cartridge☆19Jul 18, 2024Updated last year
- SMILES Toolkit☆25Jul 9, 2025Updated 9 months ago
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆30Dec 3, 2025Updated 4 months ago
- SMILES reading benchmark☆16Aug 17, 2018Updated 7 years ago
- Lucene Chemical Index based on RDKit functionality.☆15Aug 26, 2016Updated 9 years ago
- ☆14May 9, 2018Updated 7 years ago
- The database and API backend for ZincBind - the database of zinc binding sites☆16Apr 8, 2025Updated last year
- Hierarchical template correction for chemical reactions☆21Aug 9, 2024Updated last year
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆15Jul 19, 2015Updated 10 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Universal cheminformatics toolkit, utilities and database search tools☆384Updated this week
- An Interactive Map of Biochemical Similarity in Molecular Datasets. The document: http://chemtreemap.readthedocs.org/en/latest/ . The pro…☆30Apr 10, 2017Updated 9 years ago
- Obsolete codebase, please do not use.☆35Jan 3, 2023Updated 3 years ago
- An SQLite extension for chemoinformatics applications.☆63Oct 17, 2025Updated 5 months ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Molecular Processing Made Easy.☆533Jun 10, 2024Updated last year
- RDKit Tools for the IPython Notebook☆46Oct 16, 2018Updated 7 years ago
- Mychem is an extension for MySQL that makes possible to use cheminformatics functions within SQL queries.☆22Jun 7, 2025Updated 10 months ago
- psi4+RDKit☆106May 13, 2025Updated 11 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Tool for mining structure-property relationships from chemical datasets☆16Jan 17, 2026Updated 2 months ago
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Apr 11, 2021Updated 5 years ago
- Repository for Chemical Perception Sampling Tools☆21Aug 13, 2024Updated last year
- 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
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆20Oct 19, 2021Updated 4 years ago
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- Container-based installation of pymol, with interaction through the browser via Jupyter notebook☆20May 22, 2019Updated 6 years ago
- Server code for MongoChem chemical data☆17Feb 9, 2026Updated 2 months ago
- Molecule Validation and Standardization☆184Apr 16, 2020Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- C++/Python Library for Systematic Chemical Space Exploration☆25Dec 21, 2021Updated 4 years ago
- rdkit scripts making life easier☆78Mar 18, 2026Updated 3 weeks ago
- A validating SMILES parser, with support for incomplete SMILES☆29Jan 14, 2025Updated last year
- 2018 RDKit UGM☆14Sep 28, 2018Updated 7 years ago
- Synthetic Bayesian Classification☆50Jan 18, 2021Updated 5 years ago
- ☆10Sep 25, 2019Updated 6 years ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Jun 4, 2025Updated 10 months ago