awesome-panel / panel-chemistryLinks
π§ͺπ π. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VIZ APPLICATIONS within the domain of Chemistry using using Python and HoloViz Panel.
β121Updated last year
Alternatives and similar repositories for panel-chemistry
Users that are interested in panel-chemistry are comparing it to the libraries listed below
Sorting:
- Interactive molecule viewer for 2D structuresβ226Updated 2 weeks ago
- add-on to plotly which show molecule images on mouseover!β256Updated last year
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)β127Updated last year
- Natural language computational chemistry command line interface.β45Updated 2 years ago
- Python wrapper for the ChemSpider APIβ119Updated 7 years ago
- Make a bunch of moleculesβ96Updated 11 months ago
- Generate nice icons of molecules with a python scriptβ81Updated last year
- Molecular bloom filter toolβ126Updated 2 months ago
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.jsβ82Updated 7 years ago
- A Knowledge Graph of Common Chemical Names to their Molecular Definitionβ169Updated 9 months ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.β65Updated 5 years ago
- RDKit Tools for the IPython Notebookβ46Updated 7 years ago
- βοΈ RDKit Python Wheels on PyPI. π» pip install rdkitβ136Updated 3 weeks ago
- This is the repository for the Stmol project, a Streamlit component that uses py3Dmol to render molecules.β205Updated last year
- Autonomous characterization of molecular compounds from small datasets without descriptorsβ44Updated 4 months ago
- Streamlit Component for creating Speck molecular structures within Streamlit Web app.β32Updated last year
- Chemical Structure Handling for Pandas DataFramesβ33Updated 2 years ago
- Repository for the SCS Spring School on Digital Chemistryβ20Updated 2 years ago
- Experiments with expanded ensembles to explore chemical spaceβ195Updated 9 months ago
- Jupyter Widgets to interact with molecular datasets.β31Updated 3 years ago
- A Python library for structural cheminformaticsβ103Updated 6 months ago
- π₯³emojis in chemistryβοΈπ₯³β25Updated 2 years ago
- A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online databaseβ83Updated 5 years ago
- Facilitates searching, screening, and organizing large chemical databasesβ169Updated last year
- β56Updated last year
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.β47Updated 5 years ago
- Efficiently calculate 3D-features for quantitative structure-activity relationship approaches.β66Updated last year
- DeepMol: A Machine and Deep Learning Framework for Computational Chemistryβ161Updated 2 weeks ago
- β143Updated 4 years ago
- A very fast visualization library for large, high-dimensional data sets.β239Updated 11 months ago