Monroe: A Molecular Foundation Model for In-Context Probabilistic Inference
☆15Oct 21, 2026Updated this week
Alternatives and similar repositories for Monroe
Users that are interested in Monroe are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Mol-JEPA multimodal molecular foundation model☆29Oct 14, 2026Updated last week
- cuik-molmaker is a specialized package designed for molecular featurization, converting chemical structures into formats that can be effe…☆38Aug 13, 2026Updated 2 months ago
- Curate datasets with ease.☆32Sep 19, 2024Updated 2 years ago
- equivariant NMR prediction☆20Sep 16, 2026Updated last month
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆25Sep 21, 2024Updated 2 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Community-contributed extensions to the Chemprop machine learning package☆22Oct 13, 2026Updated last week
- Fast, memory-efficient Butina clustering and dataset splitting for chemical fingerprints☆12Jun 4, 2026Updated 4 months ago
- Preprocessing file generator (v1) and hosted Boltz-2 API builder/submitter (v2.0): binary, ternary, or N-body protein-ligand-DNA-RNA bind…☆12Updated this week
- LLM-driven molecular optimization agent built with LangGraph. Iteratively proposes and refines molecules using configurable oracles and o…☆17Updated this week
- ☆41Nov 2, 2024Updated last year
- Molecular property prediction using functional groups☆14Jun 12, 2026Updated 4 months ago
- ☆16Jun 23, 2025Updated last year
- Clustering and visualization of billions of molecules (or other high-dimensional data). 1 billion, 100K clusters, less than 3 hours, one …☆23Sep 5, 2026Updated last month
- ☆71Apr 24, 2026Updated 6 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆86Oct 16, 2026Updated last week
- gpu implementation mopac☆16Updated this week
- Open Source Mycetoma's First Series of Molecules☆10Aug 26, 2026Updated last month
- ☆12Aug 18, 2026Updated 2 months ago
- Local-first molecular modeling, WebGPU simulation, and conformer exploration in the browser☆28Sep 25, 2026Updated 3 weeks ago
- Mordred port in cpp☆59Aug 26, 2026Updated last month
- A python package to calculate Myerson values from game theory and use them as explanations for graph neural networks.☆15Sep 19, 2026Updated last month
- ☆55Sep 19, 2025Updated last year
- converting 3d molecular representations to 2d☆14Sep 10, 2026Updated last month
- 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.
- Jupyter Notebook Tutorials for Machine Learning in Chemistry (MLChem)☆20Jan 25, 2026Updated 8 months ago
- ☆68Apr 28, 2025Updated last year
- Tools to train synthesis prediction models☆31Feb 11, 2026Updated 8 months ago
- Open Source Antibiotics Series 2☆10Jan 23, 2023Updated 3 years ago
- A Python package for the calculation of features and descriptors for atoms and bonds in molecules.☆59Jun 29, 2026Updated 3 months ago
- MCP server for life-science knowledge graphs☆19Updated this week
- ☆11Mar 27, 2026Updated 6 months ago
- This package contains tools for setting up hybrid-topology FE calculations☆40Oct 5, 2026Updated 2 weeks ago
- A comprehensive toolkit for predicting free energies☆62Jan 10, 2025Updated 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.
- Molecular Out-Of-Distribution☆41Apr 16, 2025Updated last year
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆36Jan 16, 2026Updated 9 months ago
- Benchmarks for reading and interpreting mmCIF files☆10Aug 30, 2021Updated 5 years ago
- A Python toolkit for dimensionality reduction quality assessment☆19Apr 19, 2026Updated 6 months ago
- Refined and extended version of ChemTS☆124Jul 30, 2026Updated 2 months ago
- A scalable architecture for generating 3D molecules atom-by-atom☆15Sep 6, 2025Updated last year
- The Forward-Forward Algorithm for Drug Discovery☆33Dec 30, 2022Updated 3 years ago