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Tags: Science and math
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49–72 of 74 · Most stars

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 is a class module in beta state to implement computations with large integers and reals/rationals numbers, while proposing representation of numerical values as scientific notation, allowing to obtain several cohorts for the same number (a lot of fun!).

  • arithmetic
  • biginteger
  • biginteger-library
  • fractional