cthoyt / chembl-downloaderView external linksLinks
Write reproducible code for getting and processing ChEMBL
☆87Sep 14, 2025Updated 5 months ago
Alternatives and similar repositories for chembl-downloader
Users that are interested in chembl-downloader are comparing it to the libraries listed below
Sorting:
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆61Sep 5, 2022Updated 3 years ago
- An implementation of the Solubility Forecast Index (SFI)☆23Oct 6, 2025Updated 4 months ago
- Code to analyze SAR datasets for Nonadditivity☆19Aug 8, 2021Updated 4 years ago
- ☆11Apr 22, 2024Updated last year
- Data repository for pkasolver☆12Mar 28, 2022Updated 3 years ago
- ☆14Mar 7, 2024Updated last year
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 2 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- Simple package for fast molecular similarity searches☆161Feb 3, 2026Updated 2 weeks ago
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 3 years ago
- Scoring of shape and ESP similarity with RDKit☆232Aug 19, 2025Updated 5 months ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆53Apr 22, 2021Updated 4 years ago
- Python library (C++ backend) for degree-preserving network randomization☆14Oct 14, 2019Updated 6 years ago
- ☆76Aug 3, 2023Updated 2 years ago
- ChEMBL database structure pipelines☆231Nov 24, 2025Updated 2 months ago
- ☆44Aug 28, 2022Updated 3 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- ☆54Jan 17, 2026Updated last month
- ☆101Feb 24, 2025Updated 11 months ago
- Kinase-focused fragment library☆67Jan 28, 2026Updated 3 weeks ago
- Some useful RDKit functions☆218Jan 12, 2026Updated last month
- Molecular filtering for drug discovery.☆72May 19, 2025Updated 8 months ago
- FragIt main repository☆26Apr 11, 2025Updated 10 months ago
- Python for chemoinformatics☆52Apr 21, 2019Updated 6 years ago
- Generative models of chemical data for PaccMann^RL☆13Jun 2, 2023Updated 2 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Sep 29, 2020Updated 5 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 6 years ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- ☆29Oct 29, 2023Updated 2 years ago
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆22Sep 4, 2023Updated 2 years ago
- Auto3D generates low-energy conformers from SMILES/SDF☆187Jan 22, 2026Updated 3 weeks ago
- https://taxonomicallyinformedannotation.github.io/tima☆12Jan 5, 2026Updated last month
- ☆49Oct 8, 2020Updated 5 years ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆82Feb 9, 2026Updated last week
- Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".☆23Mar 17, 2023Updated 2 years ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆222Jan 20, 2026Updated 3 weeks ago
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- Systemic Evolutionary Chemical Space Exploration for Drug Discovery☆86Sep 2, 2025Updated 5 months ago