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Tags: Science and math
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313–336 of 392 · Most stars

The d-SEAMS C++ core engine

  • molecular-dynamics-simulation
  • molecular-dynamics
  • trajectory-analysis
  • lua

Portability Environment for Fortran poor people

  • fortran
  • codes-portability
  • precision

💬 Trace citation chains for any concept across research papers and render them as an interactive graph.

  • academic-research
  • bibliography
  • citation-graph
  • cli

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

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

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]

Generic 2D grid

  • astar-algorithm
  • dda-algorithm
  • dejkstra
  • golang

Java Scientific Computing Library - Signal Processing, FFT, Filters, PSD, DCT, SciPy-like APIs for JVM & Android used in Machine Learning and Data Science.

PyTorch implementation of "TGSA: Protein-Protein Association-Based Twin Graph Neural Networks for Drug Response Prediction with Similarity Augmentation"