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!β251Updated 11 months ago
- Make a bunch of moleculesβ95Updated 4 months ago
- Molecular bloom filter toolβ116Updated last week
- Natural language computational chemistry command line interface.β45Updated 2 years ago
- A Python library for structural cheminformaticsβ95Updated last week
- β64Updated 9 months ago
- Experiments with expanded ensembles to explore chemical spaceβ190Updated last month
- Deep-learning models for Drug Discovery and Quantum Chemistryβ27Updated 7 years ago
- Chemical Structure Handling for Pandas DataFramesβ33Updated 2 years ago
- βοΈ RDKit Python Wheels on PyPI. π» pip install rdkitβ132Updated this week
- The MinHashed Atom Pair fingerprint of radius 2β112Updated last year
- QSARtuna: QSAR model building with the optuna frameworkβ115Updated 5 months ago
- Python for chemoinformaticsβ110Updated 4 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.β64Updated 4 years ago
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netwβ¦β177Updated 3 years ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)β125Updated last year
- Simple package for fast molecular similarity searchesβ126Updated last month
- Structure-informed machine learning for kinase modelingβ53Updated this week
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.jsβ79Updated 6 years ago
- π₯³emojis in chemistryβοΈπ₯³β25Updated 2 years ago
- A tool for analyzing RAS protein structuresβ50Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpseβ185Updated 2 months ago
- ai_in_chemistry_workshopβ75Updated 6 months ago
- DeepMol: A Machine and Deep Learning Framework for Computational Chemistryβ137Updated last week
- rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)β30Updated 2 years ago
- Deep learning AI for generating new molecules that bond to the COVID-19.β12Updated 4 years ago
- Graph neural network for predicting NMR chemical shiftsβ48Updated 2 years ago
- Generate nice icons of molecules with a python scriptβ71Updated 10 months ago
- Visualization tool for changing networksβ19Updated 6 years ago