iwatobipen / chem_streamlit
☆25Updated 3 years ago
Alternatives and similar repositories for chem_streamlit:
Users that are interested in chem_streamlit are comparing it to the libraries listed below
- JSME Molecule Editor ipywidget for jupyter notebook☆12Updated 3 years ago
- cime public repository☆33Updated 2 years ago
- ☆34Updated last year
- ☆36Updated last year
- Cloud-based Drug Binding Structure Prediction☆35Updated 2 weeks ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆28Updated last year
- Updated version of Silicos-it's shape-based alignment tool☆40Updated last year
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆35Updated last week
- ☆28Updated last year
- Fully automated docking pipeline (can be run in distributed environments)☆43Updated last month
- Computational Chemistry Workflows☆54Updated 2 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 4 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆23Updated 2 months ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- Chemical Structure Handling for Pandas DataFrames☆33Updated 2 years ago
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆15Updated last year
- ☆27Updated 3 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆34Updated last year
- ☆26Updated last year
- ☆26Updated 9 months ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- Fast Molecular Property Prediction with mordredcommunity☆20Updated last week
- docking visualization with py3dmol and streamlit☆23Updated 4 years ago
- Mordred port in cpp☆42Updated last month
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year
- Given an RDKit molecule that does not sanitise, correct it until it does☆37Updated 11 months ago
- Tool for mining structure-property relationships from chemical datasets☆15Updated 4 months ago
- ☆32Updated 4 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆59Updated last year