MarcusOlivecrona / MolExplorerLinks
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
Sorting:
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- ChEMBL Similarity Search☆17Updated 4 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Modeling Tanimoto distributions for RDKit☆17Updated 5 years ago
- ☆27Updated 3 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- ☆23Updated 3 years ago
- Python API for Pharmer☆12Updated 5 years ago
- Updated version of Silicos-it's shape-based alignment tool☆41Updated last year
- Code to analyze SAR datasets for Nonadditivity☆18Updated 3 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆36Updated last year
- ☆31Updated last month
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- PIDGINv4☆11Updated 3 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆26Updated 3 years ago
- These files are meant to accompany "What are our models really telling us? A practical tutorial on avoiding common mistakes when buildin…☆13Updated 12 years ago
- Synthetic Bayesian Classification☆43Updated 4 years ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- ☆24Updated 2 years ago
- Shape-based alignment of molecules using 3D point-based representation☆21Updated last year
- Benchmark interpretation of QSAR models☆15Updated 2 years ago
- ☆28Updated last year
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Updated 2 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- ☆17Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆10Updated 5 years ago
- ☆45Updated 4 years ago
- ☆16Updated 5 years ago