Write reproducible code for getting and processing ChEMBL
☆88Sep 14, 2025Updated 6 months ago
Alternatives and similar repositories for chembl-downloader
Users that are interested in chembl-downloader are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆62Sep 5, 2022Updated 3 years ago
- An implementation of the Solubility Forecast Index (SFI)☆24Oct 6, 2025Updated 6 months ago
- Code to analyze SAR datasets for Nonadditivity☆19Aug 8, 2021Updated 4 years ago
- https://taxonomicallyinformedannotation.github.io/tima☆15Apr 1, 2026Updated last week
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- Scoring of shape and ESP similarity with RDKit☆234Aug 19, 2025Updated 7 months ago
- Simple package for fast molecular similarity searches☆166Mar 11, 2026Updated last month
- ☆77Aug 3, 2023Updated 2 years ago
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 3 years ago
- Python library (C++ backend) for degree-preserving network randomization☆14Oct 14, 2019Updated 6 years ago
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- ChEMBL database structure pipelines☆237Nov 24, 2025Updated 4 months ago
- ☆14Mar 7, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Kinase-focused fragment library☆69Jan 28, 2026Updated 2 months ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- ☆54Jan 17, 2026Updated 2 months ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆54Apr 22, 2021Updated 4 years ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆63Dec 17, 2025Updated 3 months 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
- ☆101Feb 24, 2025Updated last year
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- ☆11Apr 22, 2024Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Auto3D generates low-energy conformers from SMILES/SDF☆190Jan 22, 2026Updated 2 months ago
- LillyMol Public Code☆16Updated this week
- Curate datasets with ease.☆32Sep 19, 2024Updated last year
- Molecular filtering for drug discovery.☆73May 19, 2025Updated 10 months ago
- FragIt main repository☆27Mar 6, 2026Updated last month
- lwreg is a lightweight registration system for chemical registration and data storage.☆87Feb 9, 2026Updated 2 months ago
- ☆44Aug 28, 2022Updated 3 years ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆115Dec 5, 2025Updated 4 months ago
- Python for chemoinformatics☆52Apr 21, 2019Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Na…☆15Aug 28, 2025Updated 7 months ago
- Some useful RDKit functions☆223Mar 18, 2026Updated 3 weeks ago
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- Alchemical mutation scoring map☆10May 19, 2024Updated last year
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 7 months ago
- ☆49Oct 8, 2020Updated 5 years ago
- A script to run structural alerts using the RDKit and ChEMBL☆163Feb 17, 2026Updated last month