chembl / chembl_webresource_clientLinks
Official Python client for accessing ChEMBL API
β429Updated 11 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:
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to π Schake,β¦β623Updated last month
- Tutorials to learn how to work with the RDKitβ303Updated 2 years ago
- a molecular descriptor calculatorβ450Updated last year
- β366Updated 7 months ago
- Interaction Fingerprints for protein-ligand complexes and moreβ460Updated last week
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scienβ¦β425Updated last year
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting fβ¦β273Updated 2 years ago
- ChEMBL database structure pipelinesβ229Updated last month
- Cloud-based molecular simulations for everyoneβ463Updated last month
- PDBFixer fixes problems in PDB filesβ611Updated last month
- Open Drug Discovery Toolkitβ459Updated 3 years ago
- Collected scripts for Pymolβ506Updated 4 months ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.β370Updated 2 weeks ago
- A Python wrapper for PaDEL-Descriptor softwareβ221Updated 7 months ago
- A deep learning framework for molecular dockingβ819Updated this week
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and dataβ943Updated this week
- A Python Package for Protein Dynamics Analysisβ519Updated this week
- Python wrapper for the PubChem PUG REST API.β476Updated 3 months ago
- Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representationsβ¦β243Updated 2 years ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.β328Updated last year
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.β641Updated last month
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astrβ¦β188Updated 3 weeks ago
- A package to identify matched molecular pairs and use them to predict property changes.β267Updated 7 months ago
- Training and prediction scripts for Chemprop models trained on ADMET datasetsβ251Updated 3 months ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithmβ371Updated 3 months ago
- Benchmarks for generative chemistryβ489Updated last year
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.β710Updated last year
- Interface for AutoDock, molecule parameterizationβ319Updated 2 weeks ago
- Molecular Processing Made Easy.β522Updated last year
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.β288Updated 2 weeks ago