mcs07 / CIRpyLinks
Python wrapper for the NCI Chemical Identifier Resolver (CIR)
☆127Updated last year
Alternatives and similar repositories for CIRpy
Users that are interested in CIRpy are comparing it to the libraries listed below
Sorting:
- RDKit Tools for the IPython Notebook☆46Updated 7 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated last year
- Simple RDKit molecule editor GUI using PySide☆162Updated 9 months ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Updated 4 months ago
- add-on to plotly which show molecule images on mouseover!☆256Updated last year
- Simple package for fast molecular similarity searches☆154Updated last month
- ☆91Updated 3 years ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆109Updated 3 months ago
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- Molecule Validation and Standardization☆175Updated 5 years ago
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.☆47Updated 5 years ago
- A Python library for structural cheminformatics☆103Updated 5 months ago
- RDKit related blog posts, notebooks, and data.☆146Updated last week
- Interactive molecule viewer for 2D structures☆226Updated 2 weeks ago
- An open set of tools for automating tasks relating to small molecules☆68Updated 4 years ago
- Catalog of Open Source Molecular Modeling Projects☆106Updated last week
- Python wrapper for the ChemSpider API☆119Updated 7 years ago
- psi4+RDKit☆102Updated 5 months ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆65Updated 5 years ago
- Chemical Structure Handling for Pandas DataFrames☆33Updated 2 years ago
- Molecular bloom filter tool☆126Updated 2 months ago
- A Python package for calculating molecular features☆183Updated this week
- An SQLite extension for chemoinformatics applications.☆59Updated last week
- The MinHashed Atom Pair fingerprint of radius 2☆117Updated 2 years ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆78Updated 3 months ago
- QSARtuna: QSAR model building with the optuna framework☆140Updated last year
- ⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit☆136Updated 3 weeks ago
- Draw molecules with plotly!☆50Updated 6 months ago
- Python for chemoinformatics☆112Updated 4 years ago
- Deprecated open-source Python project to analyze HPLC–DAD raw data.☆43Updated last year