RDKit integration to SQLAlchemy
☆10Oct 6, 2020Updated 5 years ago
Alternatives and similar repositories for rdalchemy
Users that are interested in rdalchemy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Sep 11, 2025Updated 6 months ago
- PostgreSQL Docker image with RDKit cartridge☆19May 18, 2020Updated 5 years ago
- The PostgreSQL image, just extended with the RDKit cartridge☆19Jul 18, 2024Updated last year
- ☆55Dec 12, 2025Updated 3 months ago
- ☆14May 9, 2018Updated 7 years ago
- The database and API backend for ZincBind - the database of zinc binding sites☆16Apr 8, 2025Updated 11 months ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Jun 4, 2025Updated 9 months ago
- Create molecular hashes☆27Jul 18, 2019Updated 6 years ago
- An SQLite extension for chemoinformatics applications.☆63Oct 17, 2025Updated 5 months ago
- RDKit Docker images☆20Jul 6, 2022Updated 3 years ago
- A collection of scripts for retrieving, storing, and querying SureChEMBL data.☆42Jul 11, 2024Updated last year
- SMILES Toolkit☆25Jul 9, 2025Updated 8 months ago
- Django Repository for this tutorial: https://appliku.com/post/django-rest-framework-swagger-and-typescript-api-c☆12Sep 8, 2021Updated 4 years ago
- Obsolete codebase, please do not use.☆35Jan 3, 2023Updated 3 years ago
- Repository for Chemical Perception Sampling Tools☆21Aug 13, 2024Updated last year
- This is the older version of our Python Package Development Workshop - Please see our updated materials -☆16May 21, 2020Updated 5 years ago
- A validating SMILES parser, with support for incomplete SMILES☆29Jan 14, 2025Updated last year
- Pharmacophore tool based on OpenEye toolkits☆10Feb 22, 2016Updated 10 years ago
- ☆21Jun 21, 2022Updated 3 years ago
- Sparkling Pandas☆25Sep 9, 2017Updated 8 years ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆134Mar 8, 2024Updated 2 years ago
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Apr 11, 2021Updated 4 years ago
- Generate canonical molecule identifiers for quantum chemistry database☆23May 17, 2021Updated 4 years ago
- JavaScript package for interactive rendering of 2D chemical structures in the browser.☆20Nov 13, 2024Updated last year
- Appartme System custom integration for Home Assistant, allows you to interact with your Appartme System by communicating with the Main Mo…☆16Nov 13, 2025Updated 4 months ago
- Example of Multi Region Messaging with Nameko☆12May 23, 2017Updated 8 years ago
- A simple cube file viewer based on pythreejs☆25Sep 4, 2023Updated 2 years ago
- A molecular identifier and descriptor for all domains of chemistry.☆26Dec 23, 2025Updated 3 months ago
- SMILES reading benchmark☆16Aug 17, 2018Updated 7 years ago
- ☆13Mar 26, 2024Updated last year
- The core of the SEAMM environment and graphical interface.☆15Updated this week
- Feed-forward neural network for python☆12May 30, 2024Updated last year
- ☆13Feb 20, 2023Updated 3 years ago
- Count how many bits are set (population count) in C++ using POPCNT via inline assembly and gcc intrinsics (with benchmarks)☆16May 9, 2011Updated 14 years ago
- psi4+RDKit☆106May 13, 2025Updated 10 months ago
- A lightweight generic cheminformatics toolkit☆19Apr 14, 2016Updated 9 years ago
- AutoGraph: autonomous graph based clustering of metabolite conformations☆12Mar 25, 2022Updated 3 years ago
- Compilation of chemoinformatics and machine learning techniques☆62Jul 20, 2025Updated 8 months ago
- Catalog of Open Source Molecular Modeling Projects☆111Oct 20, 2025Updated 5 months ago