rvianello / razi
A cheminformatics extension for the SQLAlchemy database toolkit.
☆39Updated 2 years ago
Alternatives and similar repositories for razi:
Users that are interested in razi are comparing it to the libraries listed below
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆44Updated last month
- Create molecular hashes☆27Updated 5 years ago
- RDKit integration to SQLAlchemy☆10Updated 4 years ago
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year
- Simplified and standard interface to a number of cheminformatics toolkits☆87Updated last year
- Given an RDKit molecule that does not sanitise, correct it until it does☆41Updated last year
- A validating SMILES parser, with support for incomplete SMILES☆26Updated 3 months ago
- Containerised components for cheminformatics and computational chemistry☆36Updated last year
- RDKit wrapper☆49Updated last year
- chemalot: a command-line cheminformatics open-source package☆37Updated last year
- ☆55Updated 11 months ago
- ☆32Updated 4 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆64Updated 5 years ago
- Model Evaluation Toolkit☆27Updated 6 years ago
- ☆52Updated last month
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- 3D diverse conformers generation using rdkit☆23Updated 3 years ago
- ☆71Updated last week
- ☆16Updated 5 years ago
- An SQLite extension for chemoinformatics applications.☆57Updated last month
- Lightweight RDKit images for production deployment☆34Updated 5 months ago
- Chemical Structure Handling for Pandas DataFrames☆33Updated 2 years ago
- SMILES reading benchmark☆16Updated 6 years ago
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆17Updated 4 years ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data☆62Updated 3 years ago
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)☆30Updated 2 years ago
- ☆26Updated 2 years ago