RDKit wrapper
☆50Apr 9, 2024Updated 2 years ago
Alternatives and similar repositories for chembl_beaker
Users that are interested in chembl_beaker are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A purely functional cheminformatics toolkit written in Scala☆16Jun 7, 2013Updated 13 years ago
- Junction Tree Variational AutoEncoder Implementation Attempt☆11Jun 21, 2018Updated 7 years ago
- AutoGraph: autonomous graph based clustering of metabolite conformations☆12Mar 25, 2022Updated 4 years ago
- A lightweight generic cheminformatics toolkit☆20Apr 14, 2016Updated 10 years ago
- RDKit Tools for the IPython Notebook☆46Oct 16, 2018Updated 7 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Perception and labelling of stereogenic centres in chemical structures☆20Apr 13, 2026Updated 2 months ago
- A feeble attempt at molecular recognition (in the literal sense)☆67Updated this week
- biochem4j: integrated and extensible biochemical knowledge through graph databases☆12Apr 12, 2018Updated 8 years ago
- Containerised components for cheminformatics and computational chemistry☆36May 23, 2023Updated 3 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- RDKit code for the JCIM article☆17Aug 17, 2013Updated 12 years ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated 11 months ago
- Interactive plots with chemical structures☆15Nov 14, 2019Updated 6 years ago
- Optical Chemical Structure Recognition Tool (based on OSRA)☆19Mar 22, 2017Updated 9 years ago
- 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.
- 基于osra的化学结构式识别工具☆22Apr 9, 2024Updated 2 years ago
- A lightweight visualization tool for molecules and their properties☆15Sep 19, 2017Updated 8 years ago
- GTM (Generative Topographic Mapping)☆17Jul 15, 2019Updated 6 years ago
- Mechanical Turk on your own machine for chemical literature annotation☆13Feb 17, 2022Updated 4 years ago
- OSRA source from http://cactus.nci.nih.gov/osra/☆37Aug 7, 2013Updated 12 years ago
- OCEAN - Optimized Cross rEActivity estimatioN☆12Apr 29, 2020Updated 6 years ago
- 2D/3D generation for small compounds☆33Feb 2, 2020Updated 6 years ago
- OSCAR (Open Source Chemistry Analysis Routines) is an open source extensible system for the automated annotation of chemistry in scientif…☆40May 10, 2026Updated last month
- Resources used to create the myChEMBL virtual machine☆57Mar 20, 2017Updated 9 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Compare optimized geometries and energies from various force fields with respect to a QM reference.☆14Apr 19, 2021Updated 5 years ago
- ☆20Jan 31, 2021Updated 5 years ago
- ChemicalTagger is a tool for semantic text-mining in chemistry.☆46May 8, 2026Updated last month
- The semi-unsupervised version of the molecule recognition engine, chemtype.☆19Feb 6, 2019Updated 7 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Baselines models for GuacaMol benchmarks☆144Feb 16, 2024Updated 2 years ago
- Converts CDX and CDXML from and to CML☆12Apr 14, 2026Updated 2 months ago
- Chemical 2D structure editor application/applet based on the Chemistry Development Kit☆141Apr 24, 2026Updated last month
- ☆13Nov 29, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Tool for mining structure-property relationships from chemical datasets