Fast Molecular Property Prediction with mordredcommunity
☆58Dec 12, 2025Updated 6 months ago
Alternatives and similar repositories for fastprop
Users that are interested in fastprop are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆31May 9, 2026Updated last month
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆31Apr 9, 2025Updated last year
- Interactive plotting of data annotated with molecule structures.☆12Nov 30, 2023Updated 2 years ago
- Mordred port in cpp☆55Feb 27, 2025Updated last year
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆79Mar 16, 2026Updated 2 months 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.
- Automagically resolve the best structure for molecules across several databases from identifiers☆46Apr 22, 2026Updated last month
- fastsolv python package, website, and paper code☆48Aug 27, 2025Updated 9 months ago
- toolkit for prediction pKa values of small molecules via graph convolutional networks☆74May 20, 2026Updated 3 weeks ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆40Mar 30, 2026Updated 2 months ago
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 9 months ago
- A Python package for processing molecules with RDKit in scikit-learn☆222Jun 1, 2026Updated 2 weeks ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 4 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆58May 1, 2026Updated last month
- A python package for chemical space visualization.☆153Jun 1, 2026Updated 2 weeks 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.
- Machine Learning model for molecular micro-pKa prediction☆51Sep 28, 2024Updated last year
- ☆18Dec 31, 2024Updated last year
- ☆32May 25, 2026Updated 3 weeks ago
- CheMeleon Descriptor-based Foundation Model☆143Updated this week
- UQ4DD: Uncertainty Quantification for Drug Discovery☆18Aug 4, 2025Updated 10 months ago
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆121Jun 9, 2026Updated last week
- ☆66Feb 17, 2026Updated 3 months ago
- ☆15Jun 25, 2025Updated 11 months ago
- scikit-learn classes for molecular vectorization using RDKit☆203Nov 2, 2025Updated 7 months 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.
- ☆13May 24, 2026Updated 3 weeks ago
- Community-Maintained Version of mordred☆106Jun 8, 2026Updated last week
- Better Data Splits for Machine Learning☆101Sep 30, 2025Updated 8 months ago
- BitBIRCH clustering algorithm☆129Oct 21, 2025Updated 7 months ago
- Scoring of shape and ESP similarity with RDKit☆235Aug 19, 2025Updated 9 months ago
- Store your chemical data in a single file!☆13May 7, 2025Updated last year
- ☆101Feb 24, 2025Updated last year
- cuik-molmaker is a specialized package designed for molecular featurization, converting chemical structures into formats that can be effe…☆31Updated this week
- ☆13Jul 24, 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.
- Rapid construction of chemical pipelines in interactive notebooks and cli usage☆13Sep 27, 2024Updated last year
- ☆36Mar 26, 2026Updated 2 months ago
- A comprehensive Model Context Protocol (MCP) server for accessing the PubChem chemical database. This server provides access to over 110 …☆40Dec 21, 2025Updated 5 months ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆10Nov 20, 2025Updated 6 months ago
- A tutorial for 3D computer graphics for bio-molecules and organic molecules☆28Jan 26, 2025Updated last year
- python API for rowan☆20May 29, 2026Updated 2 weeks ago
- ☆46Dec 30, 2025Updated 5 months ago