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Tags: Science and math
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49–72 of 85 · Most stars

TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524

  • self-attention
  • compound-protein-interaction
  • transformercpi
  • structure-free-virtual-sreening

NeuroAnatomy Toolbox: An R package for the (3D) visualisation and analysis of biological image data, especially tracings of single neurons.

  • r
  • neuroanatomy-toolbox
  • cran
  • neuron

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

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

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

  • qsharp
  • python3