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Tags: Science and math
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649–672 of 792 · 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

NASA/JPL SPICE Toolkit for C – patched for cross-platform compatibility

  • astronomy
  • astronomical-algorithms
  • celestial-mechanics
  • nasa

A weather server supporting Campbell Scientific and Davis Instruments stations with lots of data-sharing options

Genetic Algorithm and Particle Swarm Optimization

  • genetic-algorithm
  • particle-swarm-optimization
  • golang
  • go

Deciphering cell-cell communication from spatially resolved transcriptomic data at single-cell resolution with subgraph-based attentional graph neural network

Small size matrix handling module with a few linear algebra operations specifically for MicroPython (Python3)

Qurry (was) a prototype for a functional quantum programming language. It incorporated many aspects of functional programming (Haskell, Clojure), but also took standard design philosophies from C++, Python, and other "traditional" languages. [category: quantum]

A implementation of Shor's algorithm written in Python calling Q# for the quantum part

  • qsharp
  • python3