CheMeleon Descriptor-based Foundation Model
☆134May 3, 2026Updated this week
Alternatives and similar repositories for chemeleon
Users that are interested in chemeleon are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Mordred port in cpp☆54Feb 27, 2025Updated last year
- Fast Molecular Property Prediction with mordredcommunity☆58Dec 12, 2025Updated 4 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆76Mar 27, 2025Updated last year
- ☆46Dec 30, 2025Updated 4 months ago
- A Python package for processing molecules with RDKit in scikit-learn☆219Apr 24, 2026Updated 2 weeks ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆17Jul 30, 2024Updated last year
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆83Dec 21, 2025Updated 4 months ago
- Tools for molecular Docking☆27Jul 24, 2025Updated 9 months ago
- The Polaris datasets and benchmarks recipes☆13May 26, 2025Updated 11 months ago
- Searching for structural similarities across billions of molecules in milliseconds☆100Updated this week
- STORMM: Structure and TOpology Replica Molecular Mechanics☆83Sep 11, 2025Updated 7 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 2 months ago
- ☆105Feb 15, 2024Updated 2 years ago
- The official repository of Uni-pKa☆101Apr 1, 2025Updated last year
- 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.
- TS2CG version 2☆27Apr 18, 2026Updated 3 weeks ago
- ☆32Feb 24, 2022Updated 4 years ago
- scikit-learn classes for molecular vectorization using RDKit☆202Nov 2, 2025Updated 6 months ago
- ☆10Mar 31, 2023Updated 3 years ago
- ☆10Oct 28, 2022Updated 3 years ago
- Toolkit for large scale ADMET modelling☆29Apr 27, 2026Updated last week
- ☆29Jul 2, 2025Updated 10 months ago
- Scientific research data management platform for storing, managing, and visualizing data from all preclinical drug discovery phases☆33May 2, 2026Updated last week
- Foster the development of impactful AI models in drug discovery.☆141Aug 22, 2025Updated 8 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A meticulously curated resource list focused on computational methods for drug discovery.☆108Apr 15, 2026Updated 3 weeks ago
- ☆16Oct 8, 2023Updated 2 years ago
- EasyFigAssembler simplifies the assembly of publication-quality scientific figures. It helps free scientists from technical burdens, so w…☆30Dec 28, 2025Updated 4 months ago
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated last month
- KDS software for Kinase Drug Selectivity☆11Jun 8, 2023Updated 2 years ago
- Design a local part of a protein☆20Jan 12, 2023Updated 3 years ago
- A Python toolbox to work with molecular similarity☆45Sep 9, 2025Updated 8 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit☆14Jan 25, 2024Updated 2 years ago
- 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.
- ☆32Apr 28, 2026Updated last week
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆226Mar 24, 2026Updated last month
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated last month
- torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inve…☆319Oct 8, 2025Updated 7 months ago
- Compilation of chemoinformatics and machine learning techniques☆62Jul 20, 2025Updated 9 months ago
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆13Dec 19, 2017Updated 8 years ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year