awesome-panel / panel-chemistry
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.
β120Updated last year
Alternatives and similar repositories for panel-chemistry:
Users that are interested in panel-chemistry are comparing it to the libraries listed below
- Interactive molecule viewer for 2D structuresβ218Updated last year
- add-on to plotly which show molecule images on mouseover!β252Updated 11 months ago
- Generate nice icons of molecules with a python scriptβ71Updated 10 months ago
- Molecular bloom filter toolβ116Updated this week
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.jsβ80Updated 7 years ago
- A Python library for structural cheminformaticsβ95Updated 2 weeks ago
- π₯³emojis in chemistryβοΈπ₯³β25Updated 2 years ago
- Facilitates searching, screening, and organizing large chemical databasesβ164Updated last year
- Experiments with expanded ensembles to explore chemical spaceβ191Updated 2 months ago
- Natural language computational chemistry command line interface.β45Updated 2 years ago
- Python for chemoinformaticsβ110Updated 4 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.β64Updated 5 years ago
- The MinHashed Atom Pair fingerprint of radius 2β113Updated last year
- Deep-learning models for Drug Discovery and Quantum Chemistryβ27Updated 7 years ago
- β64Updated 9 months ago
- ai_in_chemistry_workshopβ76Updated 6 months ago
- QSARtuna: QSAR model building with the optuna frameworkβ117Updated 5 months ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)β125Updated last year
- Chemical Structure Handling for Pandas DataFramesβ33Updated 2 years ago
- βοΈ RDKit Python Wheels on PyPI. π» pip install rdkitβ132Updated this week
- Make a bunch of moleculesβ95Updated 4 months ago
- Derive ΞG for single residues from HDX-MS dataβ28Updated last week
- Visualization tool for changing networksβ19Updated 6 years ago
- RDKit related blog posts, notebooks, and data.β130Updated last week
- Extracting medicinal chemistry intuition via preference machine learningβ105Updated last year
- Example implementations of common machine learning projects in chemistry.β167Updated 7 months ago
- MoleculeKit: Your favorite molecule manipulation kitβ217Updated last week
- A very fast visualization library for large, high-dimensional data sets.β223Updated 4 months ago
- RDKit Tools for the IPython Notebookβ46Updated 6 years ago
- β25Updated 3 years ago