chembl / GLaDOSLinks
Web Interface for ChEMBL @ EMBL-EBI
☆51Updated 3 years ago
Alternatives and similar repositories for GLaDOS
Users that are interested in GLaDOS are comparing it to the libraries listed below
Sorting:
- A Python library for structural cheminformatics☆102Updated 4 months ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆42Updated this week
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆73Updated last year
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆106Updated 2 months ago
- Calculation of interatomic interactions in molecular structures☆78Updated 3 years ago
- Python implementation of common ADME properties.☆36Updated 2 years ago
- The MinHashed Atom Pair fingerprint of radius 2☆115Updated 2 years ago
- Write reproducible code for getting and processing ChEMBL☆78Updated last week
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆80Updated last year
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆122Updated 2 years ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆45Updated 2 months ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆70Updated 2 years ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Updated 6 years ago
- A Consensus Docking Plugin for PyMOL☆77Updated last year
- Contact map analysis for biomolecules; based on MDTraj☆46Updated 8 months ago
- ☆52Updated 2 years ago
- Molecular MHFP fingerprints for cheminformatics applications☆89Updated 2 years ago
- ☆46Updated 3 years ago
- A collection of scripts for retrieving, storing, and querying SureChEMBL data.☆40Updated last year
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆90Updated 5 months ago
- 3D pharmacophore signatures and fingerprints☆107Updated 3 months ago
- Compilation of chemoinformatics and machine learning techniques☆59Updated last month
- Simple package for fast molecular similarity searches☆147Updated last week
- Structure-informed machine learning for kinase modeling☆57Updated this week
- ☆93Updated 6 months ago
- Python for chemoinformatics☆114Updated 4 years ago
- Ligand-Protein Interaction Mapping☆60Updated 4 months ago
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 2 months ago