Older clone of the RDKit subversion repository at http://sourceforge.net/projects/rdkit/
☆22Jul 24, 2018Updated 8 years ago
Alternatives and similar repositories for rdkit-orig
Users that are interested in rdkit-orig are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆20Jan 31, 2021Updated 5 years ago
- Supporting Information of Publications☆14Mar 24, 2019Updated 7 years ago
- ☆37Mar 31, 2023Updated 3 years ago
- ☆25Oct 14, 2020Updated 6 years ago
- graph generative model for molecule☆42Dec 17, 2019Updated 6 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆68Jul 28, 2020Updated 6 years ago
- A python API for fragalysis (fragalysis.diamond.ac.uk)☆13May 22, 2023Updated 3 years ago
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆21Oct 19, 2021Updated 5 years ago
- Scoring Synthesizability of Candidates for Virtual Screening☆13May 27, 2024Updated 2 years ago
- A package to draw custom heatmaps on molecular depictions of RDKit☆13Mar 31, 2022Updated 4 years ago
- ☆11Aug 3, 2023Updated 3 years ago
- ☆14Dec 13, 2025Updated 10 months ago
- ☆24May 8, 2019Updated 7 years ago
- NPTEL » Introduction to Quantum Computing: Quantum Algorithms and Qiskit☆10Sep 17, 2021Updated 5 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.
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 6 years ago
- ☆14May 15, 2024Updated 2 years ago
- ☆12Jul 2, 2024Updated 2 years ago
- Materials from the 2023 RDKit UGM☆34Jan 16, 2024Updated 2 years ago
- Deep Learning Library for R☆12May 6, 2018Updated 8 years ago
- notebook repository☆12Jan 17, 2022Updated 4 years ago
- ☆14Sep 4, 2021Updated 5 years ago
- Testing the performance of different tensor network architectures on MNIST classification tasks.☆11Jun 1, 2020Updated 6 years ago
- Accurate ADMET Prediction with XGBoost☆43Mar 25, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Quantum-Wise VNL Application for Perovskite Building and Machine Learning☆12May 14, 2020Updated 6 years ago
- DB-based Optical Chemical Structure Recognition☆16Sep 12, 2022Updated 4 years ago
- Chemical reaction data cleaning☆32Apr 19, 2022Updated 4 years ago
- Official repository for K-Fold biomolecular structure prediction☆26Updated this week
- ☆38Jul 18, 2025Updated last year
- CRISP: Enhancing ASE Workflows with Advanced Molecular Simulation Post-Processing☆13Aug 17, 2026Updated 2 months ago
- Python package for fitting dielectric/Raman/IR spectral data with an arbitrary number of different lineshape functions☆15Mar 12, 2026Updated 7 months ago
- Official Implememtation of FEAT: Free energy Estimators with Adaptive Transport☆16Sep 12, 2026Updated last month
- The repository contains implementations of examples provided in the literature on energy minimization based approach to Physics Informed …☆11Apr 8, 2020Updated 6 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.
- hybrid classical-quantum transfer learning for cardiomegaly detection on chest x-rays☆12Jul 12, 2023Updated 3 years ago
- Converts an xyz file to an RDKit mol object☆308Jan 22, 2025Updated last year
- A PyTorch implementation of Uni-Mol3.☆24Mar 24, 2026Updated 7 months ago
- This is a biweekly mini-project series.☆13Jul 7, 2021Updated 5 years ago
- Galaxy Docker Image for the HiCExplorer☆11Mar 3, 2019Updated 7 years ago
- Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…☆25Dec 21, 2017Updated 8 years ago
- ☆10May 31, 2026Updated 5 months ago