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Tags: Science and math
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pyMOR - Model Order Reduction with Python

  • python
  • model-reduction
  • model-order-reduction
  • control-systems

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