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Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.

  • alphafold3
  • docking
  • drug-design
  • drug-discovery

HistoClean is a tool for the preprocessing and augmentation of images used in deep learning models. This easy to use application brings together the most popular image processing packages from across the python universe, meaning no more looking at documentation! HistoClean provides real time feedback to augmentations and preprocessing options. This allows users to evaluate their steps before implementation.

Prompt-injection firewall for LLM applications — 33 input detectors, 9 output scanners, federated ed25519-signed threat-intel feed. Apache 2.0, 1040 tests, F1 96.0% with 0% false positives. Docker, GitHub Action, LangChain/LlamaIndex/CrewAI integrations.

Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).

  • deep-reinforcement-learning
  • generative-model
  • vae
  • molecule-generation

A Python framework that uses machine learning algorithms to implement the metadata recovery attack against obfuscated programs.

Conflict-free merge for DataFrames, JSON, ML models & distributed agents — powered by CRDTs. The first merge library where every operation is mathematically guaranteed to converge.

A lightweight Python package for teaching computational methods through art history. Extract and analyze artist-specific works from WikiArt with built-in visualizations. Designed for digital humanities and computational design courses. Features genre/style analysis, matplotlib integration, and pedagogical clarity over algorithmic complexity.