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Tags: Science and math
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25–48 of 61 · Most stars

Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion

OFF, Open source Finite volume Fluid dynamics code

  • fluid-dynamics
  • fortran
  • oop
  • cfd

:spider_web: Compute interesting points, areas, and volumes in simplex meshes of any dimension.

A .NET library that provides fast, accurate and automatic differentiation (computes derivative / gradient) of mathematical functions.

Variations on Kirby & Paris' hydra battles and other entertaining math in Coq (collaborative, documented, includes exercises) [maintainer=@Casteran]

  • coq
  • hydra-battles
  • ordinal-notations
  • formal-proofs

C# math expression library with symbolic computation support

  • csharp
  • dotnet
  • expression-parser
  • math

Zero-dependency 128-bit fixed-point decimal for Go. Exact SQL NUMERIC / PostgreSQL semantics, no heap allocation, no panics — built for money, ledgers and banking arithmetic.

  • decimal
  • fixed-point
  • go
  • golang

A powerful library extending VBA with over 100 functions for math, stats, finance, and data manipulation. It supports matrix operations, and user-defined functions, enhancing automation and analysis within Microsoft Office and LibreOffice environments for data management, financial calculations, an more.

  • equation-systems
  • mathematical-expression-parser
  • mathematical-expressions-evaluator
  • determinant-calculation

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

Coq formalization of algorithms due to Tarjan and Kosaraju for finding strongly connected graph components using Mathematical Components and SSReflect [maintainers=@CohenCyril,@palmskog]

  • coq
  • mathcomp
  • ssreflect
  • tarjan-algorithm