cameronneylon / ChemSpiPyLinks
A simple (and probably ropey) Python wrapper for the ChemSpider API
☆16Updated 11 years ago
Alternatives and similar repositories for ChemSpiPy
Users that are interested in ChemSpiPy are comparing it to the libraries listed below
Sorting:
- Python wrapper for the ChemSpider API☆121Updated 7 years ago
- 🧪📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VI…☆125Updated 2 years ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆132Updated last year
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- Natural language computational chemistry command line interface.☆46Updated 3 years ago
- A Cuda/Thrust implementation of fingerprint similarity searching☆110Updated 2 years ago
- A Knowledge Graph of Common Chemical Names to their Molecular Definition☆174Updated last year
- Utilities for interacting with PubChem☆18Updated 10 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆63Updated 5 years ago
- This projects utilises vector similarity search from Faiss, in conjunction with chemical fingerprinting to build a scalabale similarity s…☆24Updated 4 years ago
- Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files☆22Updated 4 years ago
- A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database☆83Updated 5 years ago
- Resources used to create the myChEMBL virtual machine☆57Updated 8 years ago
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.☆47Updated 5 years ago
- OSRA source from http://cactus.nci.nih.gov/osra/☆34Updated 12 years ago
- A Django-powered website for Reaction Mechanism Generator (RMG)☆22Updated 2 months ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Updated 4 months ago
- RDKit Tools for the IPython Notebook☆46Updated 7 years ago
- An open set of tools for automating tasks relating to small molecules☆69Updated 4 years ago
- libChEBIpy: a Python API for accessing the ChEBI database☆25Updated 5 months ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Updated 4 months ago
- An experimental repo for experimenting with PyTorch models☆37Updated 2 years ago
- Homebrew formula for rdkit☆48Updated 3 years ago
- The SimSite3D Software tools are designed to quickly search a database of three dimensional structures, in Protein Data Bank format, with…☆11Updated 7 years ago
- Python input file generators for Avogadro 2☆16Updated 3 months ago
- A unified platform for theoretical and computational chemists☆18Updated 2 weeks ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆79Updated 4 years ago
- AstraZeneca add-ons to Orange.☆23Updated 5 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated 2 years ago
- ☆55Updated last month