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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

This repository contains the official PyTorch implementation of GeoDA algorithm. GeoDA is a Black-box attack to generate adversarial example for image classifiers.

Python library that implements DVB protocols for companion synchronisation

  • dvb
  • dvb-css
  • media-synchronisation
  • python

Python Frontend to Algorithms of the Algorithm Engineering Group Heidelberg

  • combinatorial-optimization
  • community-detection
  • dynamic-graphs
  • edge-orientation