mcs07 / docker-rdkitLinks
RDKit Docker images
☆20Updated 3 years ago
Alternatives and similar repositories for docker-rdkit
Users that are interested in docker-rdkit are comparing it to the libraries listed below
Sorting:
- ☆55Updated last year
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆45Updated 3 months ago
- Lightweight RDKit images for production deployment☆35Updated 3 months ago
- PostgreSQL Docker image with RDKit cartridge☆19Updated 5 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆65Updated 5 years ago
- A Python library for structural cheminformatics☆102Updated 4 months ago
- The MinHashed Atom Pair fingerprint of radius 2☆117Updated 2 years ago
- Simple package for fast molecular similarity searches☆151Updated 3 weeks ago
- RDKit integration to SQLAlchemy☆10Updated 4 years ago
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- Write reproducible code for getting and processing ChEMBL☆80Updated last week
- Molecular bloom filter tool☆123Updated last month
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆78Updated 3 years ago
- Conda build recipe for the rdkit☆51Updated 3 years ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Updated 2 weeks ago
- Web Interface for ChEMBL @ EMBL-EBI☆51Updated 3 years ago
- ⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit☆135Updated 3 weeks ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆108Updated 2 months ago
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- Interactive molecule viewer for 2D structures☆224Updated last week
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆92Updated 6 months ago
- A lightweight python-only library for reading and writing SMILES strings☆157Updated 3 weeks ago
- Molecular MHFP fingerprints for cheminformatics applications☆91Updated 2 years ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆127Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆197Updated 8 months ago
- Make a bunch of molecules☆96Updated 10 months ago
- docking visualization with py3dmol and streamlit☆24Updated 4 years ago
- An SQLite extension for chemoinformatics applications.☆59Updated 6 months ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆41Updated last year