tridentbio / trident-chemwidgetsLinks
Jupyter Widgets to interact with molecular datasets.
☆32Updated 3 years ago
Alternatives and similar repositories for trident-chemwidgets
Users that are interested in trident-chemwidgets are comparing it to the libraries listed below
Sorting:
- Write reproducible code for getting and processing ChEMBL☆86Updated 4 months ago
- Molecular filtering for drug discovery.☆71Updated 8 months ago
- CheMeleon Descriptor-based Foundation Model☆104Updated 3 weeks ago
- ☆76Updated last year
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- A validating SMILES parser, with support for incomplete SMILES☆29Updated last year
- Simple package for fast molecular similarity searches☆161Updated 2 weeks ago
- A python module for generating interactive views of chemical spaces.☆75Updated 2 years ago
- ☆91Updated 4 years ago
- RDKit Tools for the IPython Notebook☆46Updated 7 years ago
- Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.☆25Updated last year
- ☆26Updated 4 years ago
- Molecular standardisation tool☆77Updated 5 years ago
- cime public repository☆33Updated 3 years ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Updated 7 months ago
- ☆59Updated last year
- Molecular bloom filter tool☆128Updated 5 months ago
- Chemical Structure Handling for Pandas DataFrames☆34Updated 2 years ago
- ☆32Updated 9 months ago
- Machine learning accelerated docking screens☆68Updated last year
- Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data☆62Updated 3 years ago
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.☆47Updated 5 years ago
- Web Molecular Toolkit: cheminformatics functionality in TypeScript☆37Updated 2 months ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆93Updated last month
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆63Updated 5 years ago
- Fast Molecular Property Prediction with mordredcommunity☆56Updated last month
- A collection of scripts for retrieving, storing, and querying SureChEMBL data.☆41Updated last year
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆44Updated last week
- Practical Cheminformatics Blog Posts☆67Updated 2 weeks ago
- Massively multitask stacked model for predicting activity of thousands of biological assays☆34Updated 4 years ago