Lists (2)
Stars
Self-hosted search + markdown harvester for AI agents. SearXNG (100+ engines) + FastAPI + trafilatura. Tavily-compatible /search plus /extract with size presets and pagination. One-command Docker C…
Verbalized Sampling, a training-free prompting strategy to mitigate mode collapse in LLMs by requesting responses with probabilities. Achieves 2-3x diversity improvement while maintaining quality. …
Community-contributed instructions, agents, skills, and configurations to help you make the most of GitHub Copilot.
A framework for managing complex projects with spec-driven multi-agent workflows.
Context7 Platform -- Up-to-date code documentation for LLMs and AI code editors
Robust Molecular Structure Recognition with Image-to-Graph Generation
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Robin: A multi-agent system for automating scientific discovery
Turns Data and AI algorithms into production-ready web applications in no time.
lwreg is a lightweight registration system for chemical registration and data storage.
Devika is the first open-source implementation of an Agentic Software Engineer. Initially started as an open-source alternative to Devin.
A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
An unsupervised feature selection technique using supervised algorithms such as XGBoost
Converts clipboard content to smiles and much more
Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!
Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate …
Graph neural network for predicting NMR chemical shifts
active learning for accelerated high-throughput virtual screening
[Briefings In Bioinformatics] DrugAssist: A Large Language Model for Molecule Optimization
The official codebase of the paper "Chemical language modeling with structured state space sequence models"
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
Python implementations of the Boruta all-relevant feature selection method.
Autogen + GPTs - build a swarm AI researchers
Tool for the canonicalization of Polymer SMILES (P🙂) strings