lithium0003 / JSME_ipywidgetLinks
JSME Molecule Editor ipywidget for jupyter notebook
☆12Updated 3 years ago
Alternatives and similar repositories for JSME_ipywidget
Users that are interested in JSME_ipywidget are comparing it to the libraries listed below
Sorting:
- ☆34Updated last year
- Computational Chemistry Workflows☆53Updated 2 years ago
- ☆25Updated 3 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆35Updated last year
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆18Updated 2 years ago
- Dynamic pharmacophore modeling of molecular interactions☆35Updated last year
- ☆31Updated 2 months ago
- ☆28Updated last month
- An implementation of the Solubility Forecast Index (SFI)☆21Updated 2 years ago
- Program to create tautomers and ionisation states relevant to physiological pH.☆10Updated 8 years ago
- cime public repository☆33Updated 2 years ago
- ☆28Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- ☆17Updated last year
- ☆27Updated last year
- Modeling Tanimoto distributions for RDKit☆17Updated 5 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆20Updated last year
- Python API for Pharmer☆12Updated 6 years ago
- ☆18Updated 3 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 7 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆25Updated 3 weeks ago
- Updated version of Silicos-it's shape-based alignment tool☆41Updated last year
- Given an RDKit molecule that does not sanitise, correct it until it does☆41Updated last year
- Fast Molecular Property Prediction with mordredcommunity☆43Updated 2 weeks ago
- Fully automated docking pipeline (can be run in distributed environments)☆44Updated 2 weeks ago
- Machine learning accelerated docking screens☆54Updated 5 months ago
- Cloud-based Drug Binding Structure Prediction☆37Updated 3 months ago
- ☆13Updated 2 weeks ago