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Tags: Science and math
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121–144 of 237 · Most stars

A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.

MOGONET (Multi-Omics Graph cOnvolutional NETworks) is a novel multi-omics data integrative analysis framework for classification tasks in biomedical applications.

Fork of https://gitlab.mpcdf.mpg.de/mtr/pocketfft to simplify external contributions

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

Numpy-like library in swift. (Multi-dimensional Array, ndarray, matrix and vector library)

  • swift
  • math
  • ndimensional-arrays
  • ndarray

RTree2D is a 2D immutable R-tree for ultra-fast nearest and intersection queries in plane and spherical coordinates

  • scala
  • rtree
  • 2d
  • str