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TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524

  • self-attention
  • compound-protein-interaction
  • transformercpi
  • structure-free-virtual-sreening

AI-powered platform for OSINT intelligence analysis. Features archive discovery with hypothesis-driven investigation, GLiNER entity extraction, Mapbox geospatial visualization, network analysis, and document processing. Built with FastAPI, Next.js, Weaviate, and DSPy.

  • ai-agents
  • document-processing
  • dspy
  • entity-extraction

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

Open Source & Self-hosted Spotify release tracker. Auto-syncs new releases to playlists and includes power-user utilities like a discography generator and ghost track cleaner.

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

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