geekysuavo

geekysuavo's Stars

• deepchem/deepchem

  Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

  Language:Python5.6k1451.7k1.7k

• zhaoxin94/awesome-domain-adaptation

  A collection of AWESOME things about domian adaptation

  5.2k13854879

• jax-md/jax-md

  Differentiable, Hardware Accelerated, Molecular Dynamics

  Language:Jupyter Notebook1.2k46160200

• e3nn/e3nn

  A modular framework for neural networks with Euclidean symmetry

  Language:Python99318158149

• torchmd/torchmd

  End-To-End Molecular Dynamics (MD) Engine using PyTorch

  Language:Python578162876

• aiqm/torchani

  Accurate Neural Network Potential on PyTorch

  Language:Python47830171130

• brain-research/mpnn

  Open source implementation of "Neural Message Passing for Quantum Chemistry"

  Language:Python23510254

• AMLab-Amsterdam/lie_learn

  Computations involving Lie groups and harmonic analysis

  Language:Python19391848

• thuml/Batch-Spectral-Penalization

  Code release for Transferability vs. Discriminability: Batch Spectral Penalization for Adversarial Domain Adaptation (ICML 2019)

  Language:Python925317

• libDirectional/libDirectional

  Matlab library for directional statistics and directional estimation

  Language:MATLAB5510416

• syntheticpp/metaFFT

  Template based C++11 FFT implementation.

  Language:C++53504

• aqlaboratory/pnerf

  Language:Python35416

• FelixOpolka/pnerf-pytorch

  🔗 PyTorch implementation of the Parallelized Natural Extension Reference Frame algorithm

  Language:Python18214

• tony-space/WingSimulator

  Language:C++12200

• scpp/gfft

  Generative Fast Fourier Transforms in C++ using template metaprogramming

  Language:C++10314

• fdcl-gwu/Matrix-Fisher-Distribution

  Language:MATLAB9301