Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
☆54Mar 10, 2025Updated last year
Alternatives and similar repositories for novana
Users that are interested in novana are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Cheminformatic extension for SQLAlchemy☆18Aug 9, 2026Updated last week
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆52Jan 10, 2024Updated 2 years ago
- ☆14May 15, 2024Updated 2 years ago
- Foster the development of impactful AI models in drug discovery.☆144Aug 22, 2025Updated 11 months ago
- A Comprehensive Topological Complexity Indicator for Small Molecules☆18Sep 14, 2024Updated last year
- 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.
- ☆12Oct 9, 2024Updated last year
- Deterministic classification, naming, and analysis of chemical reactions☆56Aug 10, 2026Updated last week
- Mordred port in cpp☆57Feb 27, 2025Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- ☆40Feb 20, 2026Updated 5 months ago
- BitBIRCH clustering algorithm☆131Oct 21, 2025Updated 9 months ago
- ☆105Feb 15, 2024Updated 2 years ago
- ☆21Jun 2, 2026Updated 2 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.
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆20Oct 19, 2021Updated 4 years ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 6 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆28Mar 24, 2025Updated last year
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆33Jul 28, 2026Updated 3 weeks ago
- scikit-learn classes for molecular vectorization using RDKit☆204Nov 2, 2025Updated 9 months ago
- LillyMol Public Code☆140Aug 28, 2025Updated 11 months ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Aug 17, 2023Updated 3 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.
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated last year
- Top open source software from the top 50 pharmaceutical companies☆77Jun 9, 2024Updated 2 years ago
- Interactive molecule viewer for 2D structures☆257Dec 27, 2025Updated 7 months ago
- ☆18Sep 16, 2024Updated last year
- Interfacing R's Spectra package with the Python world.☆13May 12, 2026Updated 3 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆207Jun 28, 2026Updated last month
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking