MarcusOlivecrona / MolExplorer
A lightweight visualization tool for molecules and their properties
☆15Updated 7 years ago
Alternatives and similar repositories for MolExplorer:
Users that are interested in MolExplorer are comparing it to the libraries listed below
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 4 years ago
- ChEMBL Similarity Search☆17Updated 4 years ago
- Modeling Tanimoto distributions for RDKit☆17Updated 5 years ago
- ☆27Updated 3 years ago
- ☆22Updated 3 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆37Updated last year
- cime public repository☆33Updated 2 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- ☆32Updated 4 years ago
- An implementation of the Solubility Forecast Index (SFI)☆20Updated 2 years ago
- Synthetic Bayesian Classification☆40Updated 4 years ago
- Python API for Pharmer☆11Updated 5 years ago
- ☆45Updated 4 years ago
- Code to analyze SAR datasets for Nonadditivity☆18Updated 3 years ago
- ☆17Updated last year
- Program to create tautomers and ionisation states relevant to physiological pH.☆10Updated 7 years ago
- Shape-based alignment of molecules using 3D point-based representation☆20Updated last year
- 3D molecular fingerprints (E3FP) paper repo☆15Updated 4 years ago
- Updated version of Silicos-it's shape-based alignment tool☆40Updated last year
- A knowledge-based method for determining small molecule binding "hotspots".☆35Updated 10 months ago
- ☆28Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆23Updated 2 months ago
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆25Updated last week
- JSME Molecule Editor ipywidget for jupyter notebook☆12Updated 3 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆15Updated last year
- ☆13Updated 3 years ago
- Data from the COVID Moonshot project☆19Updated last year
- ☆14Updated 2 years ago