Simple RDKit molecule editor GUI using PySide
☆181May 3, 2026Updated 5 months ago
Alternatives and similar repositories for rdeditor
Users that are interested in rdeditor are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆38Mar 8, 2024Updated 2 years ago
- A Python package for processing molecules with RDKit in scikit-learn☆230Sep 18, 2026Updated last month
- scikit-learn classes for molecular vectorization using RDKit☆204Nov 2, 2025Updated 11 months ago
- PEACE: Protomer Enumerator & Automatic Calculator for Energies☆13Oct 16, 2026Updated last week
- Molecule Validation and Standardization☆189Apr 16, 2020Updated 6 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆42Sep 21, 2026Updated last month
- Scoring of shape and ESP similarity with RDKit☆239Aug 19, 2025Updated last year
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆1,091Updated this week
- A script to run structural alerts using the RDKit and ChEMBL☆173Feb 17, 2026Updated 8 months ago
- Interaction Fingerprints for protein-ligand complexes and more☆552Updated this week
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆37Sep 1, 2026Updated last month
- Interactive molecule viewer for 2D structures☆258Dec 27, 2025Updated 10 months ago
- Repository for the 2026 RDKit UGM☆25Sep 11, 2026Updated last month
- CReM: chemically reasonable mutations framework☆288Sep 23, 2026Updated last month
- 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.
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆117Dec 5, 2025Updated 10 months ago
- QM-ATLAS is a python package that orchestrates QM calculations. Based on thin wrappers of external software, more complex modules are bui…☆15Oct 12, 2026Updated 2 weeks ago
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆203Jan 27, 2022Updated 4 years ago
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- Practical Cheminformatics Tutorials☆1,338Aug 22, 2026Updated 2 months ago
- Machine Learning model for molecular micro-pKa prediction☆56Sep 28, 2024Updated 2 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆303Jun 3, 2026Updated 4 months ago
- ☆23Aug 25, 2023Updated 3 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆21Sep 25, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆32Jul 27, 2026Updated 3 months ago
- A tool for retrosynthetic planning☆909Apr 13, 2026Updated 6 months ago
- Containerised components for cheminformatics and computational chemistry☆36May 23, 2023Updated 3 years ago
- toolkit for prediction pKa values of small molecules via graph convolutional networks☆76May 20, 2026Updated 5 months ago
- Molecular Processing Made Easy.☆557Sep 9, 2026Updated last month
- LillyMol Public Code☆142Aug 28, 2025Updated last year
- add-on to plotly which show molecule images on mouseover!☆267Sep 18, 2026Updated last month
- ☆102Aug 23, 2024Updated 2 years ago
- Tools to automatically convert and proccess cdx and cdxml files in python☆63Jun 3, 2024Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 4 years ago
- Some useful RDKit functions☆242Oct 15, 2026Updated 2 weeks ago
- Open Drug Discovery Toolkit☆476Oct 4, 2026Updated 3 weeks ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆245Apr 21, 2026Updated 6 months ago
- a molecular descriptor calculator☆484Feb 7, 2024Updated 2 years ago
- A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.☆619Oct 21, 2026Updated last week
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated 2 years ago