A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
☆87Oct 23, 2025Updated 6 months ago
Alternatives and similar repositories for QSPRpred
Users that are interested in QSPRpred are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Oct 9, 2024Updated last year
- De Novo Drug Design with RNNs and Transformers☆180Feb 19, 2026Updated 2 months ago
- ☆22Apr 7, 2023Updated 3 years ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆232Apr 21, 2026Updated last week
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆24Sep 21, 2024Updated last year
- 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.
- molfeat - the hub for all your molecular featurizers☆225May 27, 2025Updated 11 months ago
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆209Feb 15, 2025Updated last year
- GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit☆14Jan 25, 2024Updated 2 years ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- A foundational package for molecular predictive modelling☆96Oct 16, 2024Updated last year
- Scripts to calculate fingerprints and simiilarity matrices for natural product databases.☆23Apr 3, 2024Updated 2 years ago
- ☆13Apr 15, 2024Updated 2 years ago
- A molecular identifier and descriptor for all domains of chemistry.☆26Dec 23, 2025Updated 4 months ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated last year
- 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.
- scikit-learn classes for molecular vectorization using RDKit☆202Nov 2, 2025Updated 6 months ago
- A python package for chemical space visualization.☆152Apr 6, 2026Updated 3 weeks ago
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆76Apr 6, 2026Updated 3 weeks ago
- Auto3D generates low-energy conformers from SMILES/SDF☆192Jan 22, 2026Updated 3 months ago
- Chemprop benchmarking scripts and data for v1☆33Jun 4, 2024Updated last year
- Mordred port in cpp☆54Feb 27, 2025Updated last year
- The Chemical Data Processing Toolkit☆117Apr 24, 2026Updated last week
- ChEMBL database structure pipelines☆238Nov 24, 2025Updated 5 months ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆115Dec 5, 2025Updated 4 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Interactive molecule viewer for 2D structures