riow1983 / novozymes-enzyme-stability-prediction

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Papers #1

Open riow1983 opened 1 year ago

riow1983 commented 1 year ago

e3nn

flowchart TD;
    A[Freeman,1991\nThe design and use of steerabe filters]-- steerable filters -->B[Worrall,2017\nHarmonic networks: deep translation and rotation equivariance]
    A-- steerable filters -->C[Cohen,2016\nSteerable cnns]
    subgraph ide0[Equivariant NN]
    subgraph ide1[Equivariant 3D CNN]
        subgraph ide2[Equivariant 2D CNN]
        C-- steerable cnns -->B
        end
        B-- harmonic networks -->D[Thomas,2018\nTensor field networks:\nrotation- and translation- equivariant neural networks for 3d point clouds]
        B-- harmonic networks -->G[Weiler,2018\n3d steerable cnns:\nlearning rotationally equivariant features in volumetric data]
        C -. block structure for the equivariant filter bank .-> G
    end
        D-- TFN / Clebsch-Gordan coefficients -->F[Geiger,2021\ne3nn: euclidean neural networks]
        G-..->F
        K[Finzi,2021\nA practical method for constructing equivariant multilayer perceptrons\nfor arbitrary matrix groups]-. equivariant MLP .-> F
    end
    E[Schutt,2017\nQuantum-chemical insights from deep tensor neural networks]-. continuous-filter convolution .->D
    H[Li,2020\nPredicting charges in protein thermodynamic stability\nupon point mutation with deep 3d convolutional neural networks]-- ThermoNet library -->I>6th solution, Novozymes, Kaggle competition, 2023]:::kagglecolor
    classDef kagglecolor fill:#33FFFF
    F-- e3nn library -->I
    J[Cohen,2014\nLearning the irreducible representations of commutative lie groups]-- irreps of rotation group --> C
riow1983 commented 1 year ago

https://github.com/Chen-Cai-OSU/awesome-equivariant-network

riow1983 commented 1 year ago

e3nn tutorials: https://e3nn.org/e3nn-tutorial-mrs-fall-2021/

riow1983 commented 1 year ago

https://github.com/e3nn/e3nn-tutorial-mrs-fall-2021/blob/gh-pages/index.md

riow1983 commented 1 year ago

https://www.google.com/search?q=e3nn+tutorial&tbm=vid&sxsrf=AJOqlzULWXrK0inRbQpuzJOTAkUZdEjnEg:1675239381374&ei=1R_aY5myFrWp2roPgrKlgAU&start=10&sa=N&ved=2ahUKEwjZ8PWB8fP8AhW1lFYBHQJZCVAQ8tMDegQIDhAE&biw=1280&bih=696&dpr=2#fpstate=ive&vld=cid:e2fdd78e,vid:cB4zsnLnZfo

riow1983 commented 1 year ago

https://docs.e3nn.org/en/stable/index.html

riow1983 commented 1 year ago

https://blackpawn.com/texts/ch/default.html

https://valdes.cc/articles/ch.html

riow1983 commented 1 year ago

https://en.wikipedia.org/wiki/Table_of_spherical_harmonics

riow1983 commented 1 year ago

https://arxiv.org/abs/2210.04766

riow1983 commented 1 year ago

https://www.youtube.com/watch?v=q9EwZsHY1sk