Community-Maintained Version of mordred
☆114Oct 12, 2026Updated this week
Alternatives and similar repositories for mordred-community
Users that are interested in mordred-community are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Fast Molecular Property Prediction with mordredcommunity☆62Dec 12, 2025Updated 10 months ago
- A collection of cheminformatics utility functions for use with marimo notebooks☆25Aug 21, 2026Updated last month
- Mordred port in cpp☆59Aug 26, 2026Updated last month
- A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.☆61Updated this week
- ☆96Oct 10, 2026Updated last week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- scikit-learn classes for molecular vectorization using RDKit☆204Nov 2, 2025Updated 11 months ago
- A foundational package for molecular predictive modelling☆96Oct 16, 2024Updated 2 years ago
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆23Apr 15, 2026Updated 6 months ago
- Scikit-learn compatible library for molecular fingerprints and chemoinformatics☆397Updated this week
- CheMeleon Descriptor-based Foundation Model☆162Updated this week
- Curate datasets with ease.☆32Sep 19, 2024Updated 2 years ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆93Oct 5, 2026Updated last week
- Similarity pruning engine for conformational ensembles☆24Apr 28, 2026Updated 5 months ago
- fastsolv python package, website, and paper code☆54Aug 27, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A Python package for processing molecules with RDKit in scikit-learn☆230Sep 18, 2026Updated last month
- Some useful RDKit functions☆241Updated this week
- Descriptor computation(chemistry) and (optional) storage for machine learning☆281Oct 1, 2026Updated 2 weeks ago
- a molecular descriptor calculator☆483Feb 7, 2024Updated 2 years ago
- LillyMol Public Code☆142Aug 28, 2025Updated last year
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated 2 years ago
- Create atomistic structures with ASE, rdkit and packmol☆29Updated this week
- molfeat - the hub for all your molecular featurizers☆234Oct 1, 2026Updated 2 weeks ago
- A python package for chemical space visualization.☆156Aug 20, 2026Updated last month
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Scripts to calculate fingerprints and simiilarity matrices for natural product databases.☆25Apr 3, 2024Updated 2 years ago
- Better Data Splits for Machine Learning☆103Sep 30, 2025Updated last year
- Toolkit for large scale ADMET modelling☆30Updated this week
- A package to identify matched molecular pairs and use them to predict property changes.☆303Jun 3, 2026Updated 4 months ago
- Foster the development of impactful AI models in drug discovery.☆145Aug 22, 2025Updated last year
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆83Sep 18, 2026Updated last month
- ChEMBL database structure pipelines☆250Nov 24, 2025Updated 10 months ago
- Molecular Processing Made Easy.☆553Sep 9, 2026Updated last month
- ASE calculator wrapper for g-xTB☆28Jul 4, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A fragment-based molecular assembly toolkit☆53Aug 17, 2026Updated 2 months ago
- CReM: chemically reasonable mutations framework☆287Sep 23, 2026Updated 3 weeks ago
- Automagically resolve the best structure for molecules across several databases from identifiers☆50Sep 19, 2026Updated 3 weeks ago
- Explainer for black box models that predict molecule properties☆355Apr 1, 2026Updated 6 months ago
- A Python package for the calculation of features and descriptors for atoms and bonds in molecules.☆58Jun 29, 2026Updated 3 months ago
- Simple package for fast molecular similarity searches☆185Jul 16, 2026Updated 3 months ago
- ☆15Apr 30, 2025Updated last year