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Tags: Science and math
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Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

Qhull development for www.qhull.org -- Qhull 2020.2 (8.1-alpha1) at https://github.com/qhull/qhull/wiki

Supernodal sparse direct solver. https://portal.nersc.gov/project/sparse/superlu/

Cancer Imaging Phenomics Toolkit (CaPTk) is a software platform to perform image analysis and predictive modeling tasks. Documentation: https://cbica.github.io/CaPTk

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

TranslatedAntifouling coating evidence panel: formulation sandbox, route biofouling stress, literature bounds. Simulation ≠ measurement. Live: https://simulator.jassyhong.top

  • biofouling
  • formulation
  • antifouling
  • evidence-panel

Native Haxe functions for graphical linear algebra (à la GLM: https://github.com/g-truc/glm/tree/master/glm)