Official Python client for accessing ChEMBL API
☆446Mar 24, 2026Updated 3 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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ChEMBL database structure pipelines☆244Nov 24, 2025Updated 7 months ago
- A package to identify matched molecular pairs and use them to predict property changes.☆290Jun 3, 2026Updated last month
- Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…☆249Apr 13, 2023Updated 3 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆508Jun 21, 2026Updated last week
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆1,027Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Python wrapper for the PubChem PUG REST API.☆504Sep 8, 2025Updated 9 months ago
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆198Jan 27, 2022Updated 4 years ago
- Interactive molecule viewer for 2D structures☆256Dec 27, 2025Updated 6 months ago
- The official sources for the RDKit library☆3,497Jun 26, 2026Updated last week
- A script to run structural alerts using the RDKit and ChEMBL☆167Feb 17, 2026Updated 4 months ago
- Descriptor computation(chemistry) and (optional) storage for machine learning☆281Oct 26, 2024Updated last year
- Molecule Validation and Standardization☆187Apr 16, 2020Updated 6 years ago
- Contributed and additional nodes for maize☆23Feb 18, 2026Updated 4 months ago
- Open Drug Discovery Toolkit☆466Dec 13, 2022Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆335Jul 20, 2021Updated 4 years ago
- Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models☆979Jul 8, 2024Updated last year
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆40May 6, 2020Updated 6 years ago
- A tool for retrosynthetic planning☆860Apr 13, 2026Updated 2 months ago
- Scoring of shape and ESP similarity with RDKit☆235Aug 19, 2025Updated 10 months ago
- 3D pharmacophore signatures and fingerprints☆115May 8, 2025Updated last year
- Deep Reinforcement Learning for de-novo Drug Design☆369Dec 8, 2021Updated 4 years ago
- Molecular Processing Made Easy.☆539May 20, 2026Updated last month
- ☆375May 24, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- a molecular descriptor calculator☆476Feb 7, 2024Updated 2 years ago
- A deep learning framework for molecular docking☆943Jun 21, 2026Updated last week
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆2,395Jun 12, 2026Updated 3 weeks ago
- Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer☆153Mar 16, 2023Updated 3 years ago
- Simple package for fast molecular similarity searches☆174Mar 11, 2026Updated 3 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆280Oct 30, 2023Updated 2 years ago
- A curated list of Cheminformatics libraries and software.☆871Mar 15, 2024Updated 2 years ago
- Benchmarks for generative chemistry☆524Feb 11, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology☆222Jul 6, 2023Updated 2 years ago
- A Python library for structural cheminformatics☆109Nov 18, 2025Updated 7 months ago
- Write reproducible code for getting and processing ChEMBL☆92Sep 14, 2025Updated 9 months ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆167Apr 7, 2023Updated 3 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆89Nov 4, 2023Updated 2 years ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆47May 3, 2021Updated 5 years ago
- Some useful RDKit functions☆234Jun 1, 2026Updated last month