GSoC 2020 project to integrate the RDKit and MongoDb
☆16Apr 8, 2024Updated 2 years ago
Alternatives and similar repositories for mongo-rdkit
Users that are interested in mongo-rdkit are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- blogpost notebooks☆20Aug 18, 2020Updated 6 years ago
- Argenomic is a quality-diversity (or illumination) algorithm for optimization of small organic molecules.☆17Apr 9, 2024Updated 2 years ago
- Server code for MongoChem chemical data☆17Feb 9, 2026Updated 6 months ago
- Predicting PROTAC protein degradation activity via machine learning.☆17Sep 17, 2025Updated 11 months ago
- Rust crate for linking against the RDKit C++ API☆21Oct 26, 2023Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- PostgreSQL Docker image with RDKit cartridge☆19May 18, 2020Updated 6 years ago
- Cheminformatic extension for SQLAlchemy☆18Aug 9, 2026Updated 3 weeks ago
- ☆13Oct 6, 2024Updated last year
- SMILES reading benchmark☆16Aug 17, 2018Updated 8 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆24Apr 30, 2024Updated 2 years ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆54Apr 22, 2021Updated 5 years ago
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆20Oct 19, 2021Updated 4 years ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- ☆37Nov 26, 2025Updated 9 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the l…☆16Jan 21, 2026Updated 7 months ago
- ☆39Aug 11, 2023Updated 3 years ago
- A tool for retrosynthetic planning☆882Apr 13, 2026Updated 4 months ago
- Protein interaction calculator☆15Feb 11, 2025Updated last year
- C++/Python Library for Systematic Chemical Space Exploration☆25Dec 21, 2021Updated 4 years ago
- ☆122Jan 20, 2021Updated 5 years ago
- Rust wrapper for the RDKit using CFFI☆16Jul 17, 2026Updated last month
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Apr 19, 2024Updated 2 years ago
- An SQLite extension for chemoinformatics applications.☆64Oct 17, 2025Updated 10 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- RDKit Tools for the IPython Notebook☆46Oct 16, 2018Updated 7 years ago
- The PostgreSQL image, just extended with the RDKit cartridge☆19Jul 18, 2024Updated 2 years ago
- Thompson Sampling☆82May 7, 2025Updated last year
- Downloads USPTO patents and finds molecules related to keyword queries☆77Dec 8, 2023Updated 2 years ago
- ☆28Sep 30, 2022Updated 3 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆168Apr 7, 2023Updated 3 years ago
- Mychem is an extension for MySQL that makes possible to use cheminformatics functions within SQL queries.☆22May 15, 2026Updated 3 months ago
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆37Aug 14, 2026Updated 2 weeks ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Autoencoder on tabular data☆15Mar 17, 2021Updated 5 years ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Sep 11, 2025Updated 11 months ago
- SMARTS: 'regular expressions' for chemical structures☆24Jun 21, 2018Updated 8 years ago
- ☆41Nov 2, 2024Updated last year
- chemalot: a command-line cheminformatics open-source package☆40Jun 4, 2023Updated 3 years ago
- Getting started docs, examples, tutorials, and use cases.☆12Jun 15, 2021Updated 5 years ago
- Search your Paperpile library with Alfred☆10Aug 18, 2026Updated last week