rvianello / raziLinks
A cheminformatics extension for the SQLAlchemy database toolkit.
☆40Updated 3 months ago
Alternatives and similar repositories for razi
Users that are interested in razi are comparing it to the libraries listed below
Sorting:
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Updated 7 months ago
- RDKit Tools for the IPython Notebook☆46Updated 7 years ago
- An SQLite extension for chemoinformatics applications.☆61Updated 2 months ago
- RDKit integration to SQLAlchemy☆10Updated 5 years ago
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- Create molecular hashes☆27Updated 6 years ago
- Chemical Structure Handling for Pandas DataFrames☆34Updated 2 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated 2 years ago
- chemalot: a command-line cheminformatics open-source package☆38Updated 2 years ago
- A collection of scripts for retrieving, storing, and querying SureChEMBL data.☆41Updated last year
- PyRod - Tracing water molecules in molecular dynamics simulations☆55Updated 2 months ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 5 years ago
- Materials from the 2016 RDKit UGM☆41Updated 9 years ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆81Updated last week
- An open set of tools for automating tasks relating to small molecules☆68Updated 4 years ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆53Updated 4 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆63Updated 5 years ago
- Synthetic Bayesian Classification☆47Updated 4 years ago
- Kinase-focused fragment library☆67Updated last month
- ☆55Updated last month
- Materials from the 2023 RDKit UGM☆34Updated last year
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆95Updated 2 months ago
- Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data☆62Updated 3 years ago
- ☆16Updated 6 years ago
- SMILES reading benchmark☆16Updated 7 years ago
- Simple package for fast molecular similarity searches☆160Updated 4 months ago
- Enable cheminformatics and quantum chemistry☆77Updated 2 years ago
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆19Updated 5 years ago
- Experimental small molecule hydration free energy dataset☆30Updated 3 years ago
- Structure-informed machine learning for kinase modeling☆59Updated this week