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 5 years ago
- Argenomic is a quality-diversity (or illumination) algorithm for optimization of small organic molecules.☆17Apr 9, 2024Updated 2 years ago
- Predicting PROTAC protein degradation activity via machine learning.☆16Sep 17, 2025Updated 6 months ago
- Server code for MongoChem chemical data☆17Feb 9, 2026Updated 2 months ago
- PostgreSQL Docker image with RDKit cartridge☆19May 18, 2020Updated 5 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆20Oct 19, 2021Updated 4 years ago
- Rust crate for linking against the RDKit C++ API☆21Oct 26, 2023Updated 2 years ago
- SMILES reading benchmark☆16Aug 17, 2018Updated 7 years ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆23Feb 1, 2022Updated 4 years ago
- ☆13Oct 6, 2024Updated last year
- A package to identify matched molecular pairs and use them to predict property changes.☆24Apr 30, 2024Updated last year
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆30Dec 3, 2025Updated 4 months ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆54Apr 22, 2021Updated 4 years ago
- ☆37Nov 26, 2025Updated 4 months 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.
- ☆38Aug 11, 2023Updated 2 years ago
- A tool for retrosynthetic planning☆811Mar 11, 2026Updated 3 weeks ago
- Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.☆23Jul 29, 2024Updated last year
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Apr 19, 2024Updated last year
- Rust wrapper for the RDKit using CFFI☆16Mar 18, 2026Updated 3 weeks ago
- ☆115Jan 20, 2021Updated 5 years ago
- Protein interaction calculator☆13Feb 11, 2025Updated last year
- An SQLite extension for chemoinformatics applications.☆63Oct 17, 2025Updated 5 months ago
- RDKit Tools for the IPython Notebook☆46Oct 16, 2018Updated 7 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Downloads USPTO patents and finds molecules related to keyword queries☆71Dec 8, 2023Updated 2 years ago
- The PostgreSQL image, just extended with the RDKit cartridge☆19Jul 18, 2024Updated last year
- ☆53Sep 19, 2025Updated 6 months ago
- Thompson Sampling☆78May 7, 2025Updated 11 months ago
- ☆28Sep 30, 2022Updated 3 years ago
- Mychem is an extension for MySQL that makes possible to use cheminformatics functions within SQL queries.☆22Jun 7, 2025Updated 10 months ago
- ☆41Nov 2, 2024Updated last year
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆30Apr 9, 2025Updated last year
- 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.
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆167Apr 7, 2023Updated 3 years ago
- chemalot: a command-line cheminformatics open-source package☆39Jun 4, 2023Updated 2 years ago
- Autoencoder on tabular data☆15Mar 17, 2021Updated 5 years ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Sep 11, 2025Updated 6 months ago
- ☆15Jun 27, 2024Updated last year
- Search your Paperpile library with Alfred☆10Feb 12, 2026Updated last month
- SMARTS: 'regular expressions' for chemical structures☆22Jun 21, 2018Updated 7 years ago