MarcusOlivecrona / MolExplorerLinks
A lightweight visualization tool for molecules and their properties
☆15Updated 8 years ago
Alternatives and similar repositories for MolExplorer
Users that are interested in MolExplorer are comparing it to the libraries listed below
Sorting:
- ChEMBL Similarity Search☆17Updated 4 years ago
- Modeling Tanimoto distributions for RDKit☆18Updated 5 years ago
- ☆27Updated 4 years ago
- ☆14Updated 3 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Updated 4 years ago
- ☆31Updated 6 months ago
- ☆16Updated 6 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 4 years ago
- ☆28Updated last year
- Protein-Ligand Interaction Fingerprints☆21Updated 4 years ago
- cime public repository☆32Updated 2 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- ☆23Updated 4 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- Python API for Pharmer☆12Updated 6 years ago
- Benchmark interpretation of QSAR models☆15Updated 3 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- Generative RNN for molecule de novo design☆19Updated 3 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated 2 years ago
- ☆37Updated 2 years ago
- Code to analyze SAR datasets for Nonadditivity☆19Updated 4 years ago
- ☆11Updated 2 years ago
- ☆10Updated 6 years ago
- An implementation of the Solubility Forecast Index (SFI)☆23Updated 3 weeks ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Updated 7 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 11 months ago
- Snippets for common computer-aided drug design tasks☆10Updated 8 years ago
- Supporting code for doi 10.1021/acs.jcim.0c01344☆23Updated 3 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Updated 5 years ago