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
- ☆33Updated 10 months ago
- Cloud-based Drug Binding Structure Prediction☆34Updated 4 months ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Updated 2 years ago
- cime public repository☆33Updated 2 years ago
- ☆27Updated 3 years ago
- Dynamic pharmacophore modeling of molecular interactions☆33Updated 8 months ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 2 years ago
- Computational Chemistry Workflows☆54Updated 2 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆34Updated last year
- PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…☆21Updated 2 years ago
- ☆21Updated last year
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆57Updated 10 months ago
- ☆32Updated 3 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆39Updated this week
- ☆28Updated last year
- An open-source effort towards accessible polymer data☆32Updated 4 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆39Updated last year
- ☆25Updated 7 months ago
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆36Updated this week
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆33Updated this week
- Machine learning accelerated docking screens☆27Updated 2 months ago
- A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM☆34Updated last year
- Code to analyze SAR datasets for Nonadditivity☆18Updated 3 years ago
- GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit☆10Updated 11 months ago
- Store your chemical data in a single file!☆12Updated 8 months ago
- A fragment-based molecular assembly toolkit☆26Updated last month
- A package to identify matched molecular pairs and use them to predict property changes.☆24Updated 8 months ago
- ☆35Updated last year