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☆119Updated 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…☆120Updated last year
- Natural language computational chemistry command line interface.☆45Updated 2 years ago
- Resources used to create the myChEMBL virtual machine☆57Updated 8 years ago
- A Knowledge Graph of Common Chemical Names to their Molecular Definition☆168Updated 7 months ago
- A Cuda/Thrust implementation of fingerprint similarity searching☆107Updated last year
- RDKit Docker images☆20Updated 3 years ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆127Updated last year
- This projects utilises vector similarity search from Faiss, in conjunction with chemical fingerprinting to build a scalabale similarity s…☆19Updated 4 years ago
- A very fast visualization library for large, high-dimensional data sets.☆236Updated 9 months ago
- Data visualizations for biomolecular dynamics☆17Updated 6 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆65Updated 5 years ago
- ChemMine Tools: open source web framework for small molecule analysis☆39Updated 2 years ago
- Automatically extract chemical information from scientific documents☆333Updated 2 years ago
- A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database☆82Updated 5 years ago
- The java implementation of the MMTF API, decoder and encoder.☆11Updated 3 months ago
- ☆55Updated last year
- Source code of the ChEMBL web services.☆16Updated 6 years ago
- 🌶️ An ecosystem in Python for working with the Biological Expression Language (BEL)☆137Updated last year
- Homebrew formula for rdkit☆45Updated 3 years ago
- Interactive molecule viewer for 2D structures☆224Updated last month
- libChEBIpy: a Python API for accessing the ChEBI database☆22Updated 3 weeks ago
- Python wrapper for the PubChem PUG REST API.☆459Updated 2 weeks ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Updated last week
- The SimSite3D Software tools are designed to quickly search a database of three dimensional structures, in Protein Data Bank format, with…☆11Updated 6 years ago
- protein embedding project☆12Updated 7 years ago
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- Open Drug Discovery Toolkit☆449Updated 2 years ago
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆268Updated 2 months ago
- Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.☆68Updated 2 years ago