chembl / chembl_webresource_clientLinks
Official Python client for accessing ChEMBL API
β408Updated 6 months ago
Alternatives and similar repositories for chembl_webresource_client
Users that are interested in chembl_webresource_client are comparing it to the libraries listed below
Sorting:
- Tutorials to learn how to work with the RDKitβ292Updated 2 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to π Adasme β¦β564Updated last month
- a molecular descriptor calculatorβ417Updated last year
- β357Updated 2 months ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scienβ¦β367Updated 10 months ago
- Interaction Fingerprints for protein-ligand complexes and moreβ434Updated last week
- ChEMBL database structure pipelinesβ212Updated 11 months ago
- PDBFixer fixes problems in PDB filesβ563Updated 4 months ago
- A Python wrapper for PaDEL-Descriptor softwareβ210Updated 3 months ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astrβ¦β187Updated 2 years ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting fβ¦β269Updated last year
- Open Drug Discovery Toolkitβ442Updated 2 years ago
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.β534Updated last week
- Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representationsβ¦β239Updated 2 years ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.β332Updated last month
- Descriptor computation(chemistry) and (optional) storage for machine learningβ265Updated 9 months ago
- Collected scripts for Pymolβ488Updated 3 weeks ago
- A deep learning framework for molecular dockingβ746Updated 3 weeks ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and dataβ895Updated 3 weeks ago
- Cloud-based molecular simulations for everyoneβ440Updated 2 weeks ago
- A package to identify matched molecular pairs and use them to predict property changes.β242Updated 2 months ago
- Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructuresβ273Updated 2 years ago
- Benchmarks for generative chemistryβ467Updated last year
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.β314Updated last year
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.β672Updated last year
- Interface for AutoDock, molecule parameterizationβ262Updated this week
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netwβ¦β185Updated 3 years ago
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learningβ325Updated 4 years ago
- Explainer for black box models that predict molecule propertiesβ333Updated 2 months ago
- Interactive molecule viewer for 2D structuresβ223Updated last week